SCHEMBL3672984

SCHEMBL3672984

CC(C(=O)O)c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.50
PTGS1 P23219 13/20 0.48
MT-CO1 P00395 1/20 0.48
MT-CO2 P00403 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C9 P11712 4/20 0.47
LMNA P02545 3/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL11195181 0.93 SRD5A2 (0.54) PTGS2PTGS1MT-CO1MT-CO2CYP2C9
SCHEMBL14312084 0.93 SRD5A2 (0.54) PTGS2PTGS1MT-CO1MT-CO2CYP2C9
SCHEMBL14312085 0.93 SRD5A2 (0.54) PTGS2PTGS1MT-CO1MT-CO2CYP2C9
SCHEMBL10613818 0.89 PTGS2 (0.41) PTGS2PTGS1MT-CO1MT-CO2NPC1
SCHEMBL10613803 0.89 PTGS2 (0.41) PTGS2PTGS1MT-CO1MT-CO2NPC1
SCHEMBL10616410 0.88 LMNA (0.44) PTGS2PTGS1MT-CO1MT-CO2NPC1
SCHEMBL10616425 0.88 LMNA (0.44) PTGS2PTGS1MT-CO1MT-CO2NPC1
Hydrochloric Acid SCHEMBL147764 0.87 LMNA (0.42) PTGS2PTGS1MT-CO1MT-CO2CYP2C9
Hydrochloric Acid SCHEMBL147763 0.87 LMNA (0.42) PTGS2PTGS1MT-CO1MT-CO2CYP2C9
SCHEMBL3669269 0.84 EPHX1 (0.49) NPC1RAB9AKMT2A

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 PTGS2 289/4885PTGS1 82/4885MT-CO1 306/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS2 358/4885PTGS1 91/4885MT-CO1 232/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS2 289/4885PTGS1 82/4885MT-CO1 306/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS2 349/4885PTGS1 116/4885MT-CO1 341/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 PTGS2 312/4885PTGS1 92/4885MT-CO1 301/4885

“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.