SCHEMBL3685970

SCHEMBL3685970

CC(C(=O)O)c1cccc(C(=O)C2CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.62
PTGS2 P35354 5/20 0.62
MAPT P10636 2/20 0.62
CXCR1 P25024 2/20 0.62
CXCR2 P25025 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RECQL P46063 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
PMP22 Q01453 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CXCL8 P10145 1/20 0.62
THPO P40225 1/20 0.62
HIF1A Q16665 1/20 0.62
AKR1C3 P42330 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
SCHEMBL26610223 0.94 PTGS1 (0.59) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL27485954 0.81 PTGS1 (0.47) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL1892950 0.81 PTGS1 (0.43) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL1887457 0.81 PTGS1 (0.43) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL3672984 0.80 PTGS2 (0.50) PTGS1PTGS2CXCR1CXCR2KDM4E
SCHEMBL1344992 0.78 PTGS1 (0.72) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL6717009 0.78 PTGS1 (0.72) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL1344993 0.78 PTGS1 (0.72) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL602096 0.77 PTGS2 (0.69) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL14067799 0.77 NPSR1 (0.49) SMN1; SMN2ALDH1A1MGLLNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 EP disclosed
CN-1275916-C Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMA INC (US) 2006-09-20 CN disclosed
CN-1603291-A Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMA INC (US) 2005-04-06 CN disclosed
CN-1168717-C Novel intermediates for the preparation of antihistaminic piperidine derivatives Ĭ���ҩ�﹫˾ 2004-09-29 CN disclosed
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 US disclosed
CN-1159277-C New intermediate for preparation of anti-histamine piperidine derivatives Ĭ���ҩ�﹫˾ 2004-07-28 CN disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-6566526-B2 Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2003-05-20 US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US disclosed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 US disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
CN-1274711-A New intermediate for preparation of anti-histamine piperidine derivatives MERRELL DOW PHARMA (US) 2000-11-29 CN disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US disclosed
CN-1128987-A Novel intermediates for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMA (US) 1996-08-14 CN disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO 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 (5 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-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS1 82/4885PTGS2 289/4885MAPT 4683/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS1 91/4885PTGS2 358/4885MAPT 4467/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS1 82/4885PTGS2 289/4885MAPT 4683/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS1 116/4885PTGS2 349/4885MAPT 4700/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS1 92/4885PTGS2 312/4885MAPT 4664/4885

“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.