SCHEMBL3859853

SCHEMBL3859853

COc1ccc2c(c1)C(C(C)C(=O)O)=C(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
PTGS1 P23219 2/20 0.48
CYP1A2 P05177 2/20 0.48
CDC42 P60953 1/20 0.48
RAC1 P63000 1/20 0.48
TSHR P16473 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
METAP1 P53582 2/20 0.44
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL6936252 0.88 METAP1 (0.43) PTGS2AKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL3869414 0.85 METAP1 (0.42) TSHRMETAP1GAAALDH1A1L3MBTL1
SCHEMBL7605900 0.83 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1CYP1A2METAP1
SCHEMBL11811157 0.83 ALDH1A1 (0.43) PTGS2AKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL5712318 0.80 PTGS2 (0.37) PTGS2AKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL6933142 0.78 AKR1C3 (0.37) PTGS2AKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL7409039 0.78 FFAR1 (0.44) AKR1C3AKR1C2PTGS1CYP1A2METAP1
SCHEMBL11847964 0.77 CXCR5 (0.35) ALDH1A1
SCHEMBL10607263 0.76 HTR2C (0.42) CYP1A2METAP1CYP2C19GAAALDH1A1
SCHEMBL8431676 0.76 METAP1 (0.42) CYP1A2METAP1CYP2C19GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435962-A4 TREATMENT OF TYPE I DIABETES CELL PATHWAYS INC (US) 2009-04-15 EP disclosed
US-20060252762-A1 Methods for treatment of multiple sclerosis WHITEHEAD CLARK M 2006-11-09 US disclosed
US-20060100210-A1 Methods for treatment of scleroderma WHITEHEAD CLARK M 2006-05-11 US disclosed
US-6906064-B2 Method for treating a patient with neoplasia using Iressa OSI PHARMACEUTICALS, INC. 2005-06-14 US disclosed
EP-1435961-A4 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435940-A4 TREATMENT OF SCLERODERMA CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435962-A2 TREATMENT OF TYPE I DIABETES Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435940-A1 TREATMENT OF SCLERODERMA Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435961-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435782-A1 TREATMENT FOR CYSTIC FIBROSIS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
US-6166053-A Substituted condensation products of N-benzyl-3-idenylacetamides with heterocyclic aldehydes for neoplasia CELL PATHWAYS, INC. (US) 2000-12-26 US disclosed
EP-1044187-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA OSI Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
US-6066634-A PHOSPHODIESTERASE INHIBITOR CELL PATHWAYS, INC. (US) 2000-05-23 US disclosed
US-5948779-A APOPTOSIS; ANTICANCER AGENT CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
WO-1999031065-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA CELL PATHWAYS, INC. (US) 1999-06-24 WO disclosed
US-5776962-A Lactone compounds for treating patient with precancerous lesions CELL PATHWAYS, INC. (US) 1998-07-07 US disclosed
US-5696159-A Lactone compounds for treating patients with precancerous lesions CELL PATHWAYS, INC. (US) 1997-12-09 US disclosed
EP-0723442-A4 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS INC (US) 1997-06-11 EP disclosed
EP-0723442-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-07-31 EP disclosed
WO-1996003987-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-02-15 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 (2 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-20060100210-A1 Methods for treatment of scleroderma SSB, TST, ETF1 PTGS2 449/4885AKR1C3 971/4885AKR1C2 1513/4885
US-20060252762-A1 Methods for treatment of multiple sclerosis MYT1, PMP22, OTC PTGS2 538/4885AKR1C3 938/4885AKR1C2 1567/4885

“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.