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SCHEMBL2986282

SCHEMBL2986282

Cc1ccc(C(=O)[C@@](O)(C(=O)O)[C@](O)(C(=O)O)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CES2 O00748 3/20 0.52
▸ CES1 P23141 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ SRD5A2 P31213 1/20 0.50
▸ HTT P42858 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ NLRP1 Q9C000 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5718255 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL72170 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL3777741 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL29229502 1.00 CA2 (0.59) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL1654584 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL21835627 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL1322817 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL21457923 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
Water SCHEMBL21457922 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL2854360 0.98 CA2 (0.57) CA2ALDH1A1SMN1; SMN2CES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280701-B1 A METHOD OF CHIRAL RESOLUTION OF THE KEY INTERMEDIATE OF THE SYNTHESIS OF APREMILAST AND ITS USE FOR THE PREPARATION OF PURE APREMILAST ZENTIVA KS (CZ) 2019-10-16 — — EP claimed
US-9828380-B2 Efficient method for the preparation of tofacitinib citrate OLON S.P.A. (IT) 2017-11-28 — — US claimed
US-20160297825-A1 EFFICIENT METHOD FOR THE PREPARATION OF TOFACITINIB CITRATE OLON S.P.A. (IT) 2016-10-13 — — US claimed
EP-3078665-A1 EFFICIENT METHOD FOR THE PREPARATION OF TOFACITINIB CITRATE OLON S.p.A. (IT) 2016-10-12 — — EP claimed
EP-2205597-B1 METHOD FOR PRODUCING (1R,5S) ANHYDROECGONINE ESTER SALTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-27 — — EP claimed
US-20100331544-A1 METHOD FOR PRODUCING (1R,5S) ANHYDROECGONINE ESTER SALTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-30 — — US claimed
US-20060014793-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1, 1-dimethylethyl) phenyl] -4- (hydroxydiphenylmethyl) -1-piperidinebutanol and derivative compounds MERRELL PHARMACEUTICALS INC. (US) 2006-01-19 — — US claimed
US-20050261341-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 — — US claimed
US-20040186137-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol and derivative compounds MERRELL PHARMACEUTICALS INC. 2004-09-23 — — US claimed
US-20030078429-A1 Process and diastereomeric salts useful for the optical resolution of racemic a-[4- (1,1-dimethylethy) phenyl) -4- (hydroxydipenylmethyl) -1-piperidinebutanol and derivative compounds NAKAMURA MITSUO (JP) 2003-04-24 — — US claimed
EP-1192134-A2 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL Aventis Pharmaceuticals Inc. (US) 2002-04-03 — — EP claimed
EP-0759904-B1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC 4-[4-[-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL]-1-HYDROXYBUTYL]-ALPHA,ALPHA-DIMETHYLBENZENE ACETIC ACID. MERRELL PHARMA INC (US) 2000-07-05 — — EP claimed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 — — WO claimed
EP-0759904-A1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC ALPHA-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1997-03-05 — — EP claimed
WO-1995031436-A1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC α-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1995-11-23 — — WO claimed
WO-2024246787-A1 METHOD OF PREPARING FINERENONE, INTERMEDIATE COMPOUND OF FINERENONE, AND METHOD OF PREPARING THE INTERMEDIATE COMPOUND 제이더블유중외제약 주식회사 2024-12-05 — — WO disclosed
WO-2024075139-A1 A PROCESS FOR PREPARATION OF FINERENONE AND INTERMEDIATES THEREOF MAITHRI DRUGS PRIVATE LIMITED (IN) 2024-04-11 — — WO disclosed
US-5098925-A Neurological disorders in mammals ICI AMERICAS INC. (US) 1992-03-24 — — US disclosed
EP-0456519-A1 Piperidyloxy- and quinuclidinyloxy- isoxazole derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1991-11-13 — — EP disclosed
EP-0441598-A2 Spiroisoindole compounds ZENECA INC. (US) 1991-08-14 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014793-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1, 1-dimethylethyl) phenyl] -4- (hydroxydiphenylmethyl) -1-piperidinebutanol and derivative compounds ARRB1, DHCR24, ADRB1 CA2 613/4885ALDH1A1 123/4885SMN1; SMN2 2972/4885
US-20050261341-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 CA2 4584/4885ALDH1A1 66/4885SMN1; SMN2 2417/4885
US-20160297825-A1 EFFICIENT METHOD FOR THE PREPARATION OF TOFACITINIB CITRATE IDH1, AURKC, COASY CA2 354/4885ALDH1A1 2311/4885SMN1; SMN2 4141/4885
US-20100331544-A1 METHOD FOR PRODUCING (1R,5S) ANHYDROECGONINE ESTER SALTS GNE, ABHD5, GALE CA2 514/4885ALDH1A1 466/4885SMN1; SMN2 4738/4885
US-20030078429-A1 Process and diastereomeric salts useful for the optical resolution of racemic a-[4- (1,1-dimethylethy) phenyl) -4- (hydroxydipenylmethyl) -1-piperidinebutanol and derivative compounds ARRB1, HTR4, HCAR1 CA2 629/4885ALDH1A1 94/4885SMN1; SMN2 3547/4885
US-20040186137-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol and derivative compounds REN, DHCR24, HCAR1 CA2 791/4885ALDH1A1 109/4885SMN1; SMN2 3487/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.