SCHEMBL3869414

SCHEMBL3869414

CCOC(=O)C(C)C1=C(C)Cc2ccc(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HTR2C P28335 4/20 0.39
HTR2A P28223 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO2 P16083 3/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
PPARG P37231 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38

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 0.90 METAP1 (0.43) METAP1L3MBTL1HTR2CHTR2ATSHR
SCHEMBL3859853 0.85 PTGS2 (0.48) METAP1L3MBTL1HTR2CHTR2ATSHR
SCHEMBL7605900 0.80 AKR1C3 (0.51) METAP1L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL7409039 0.78 FFAR1 (0.44) METAP1L3MBTL1ALDH1A1GAANQO2
SCHEMBL10607263 0.76 HTR2C (0.42) METAP1L3MBTL1HTR2CHTR2AALDH1A1
SCHEMBL12930796 0.75 MPO (0.45) L3MBTL1TSHRALDH1A1MAPK1TDP1
SCHEMBL11811157 0.74 ALDH1A1 (0.43) METAP1L3MBTL1TSHRALDH1A1MEN1
SCHEMBL8431676 0.73 METAP1 (0.42) METAP1L3MBTL1HTR2CHTR2AALDH1A1
SCHEMBL11818784 0.72 MAOB (0.43) METAP1L3MBTL1ALDH1A1TDP1NQO2
SCHEMBL11818787 0.72 MAOB (0.43) METAP1L3MBTL1ALDH1A1TDP1NQO2

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 32 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-1435961-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS 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-1435782-A1 TREATMENT FOR CYSTIC FIBROSIS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
WO-2003017926-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017765-A1 TREATMENT FOR CYSTIC FIBROSIS CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
US-20030009033-A1 Substituted condensation products of N-benzyl-3-indenylacent amides with heterocyclic aldehydes for neoplasia OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
US-6479493-B1 INHIBITING PHOSPHODIESTERASE 2 IN THE DISEASED TISSUE, WITHOUT SUBSTANTIALLY INHIBITING CYCLOOXYGENASES I AND II, THEREBY CAUSING MACROPHAGE APOPTOSIS CELL PATHWAYS, INC. 2002-11-12 US disclosed
US-6465494-B1 PHOSPHODIESTERASE 2 AND 5 INHIBITORS; DOES NOT SUBSTANTIALLY INHIBIT COX I OR II; INDUCING APOPTOSIS IN PULMONARY MACROPHAGES THAT GENERATE LUNG DAMAGING METABOLITES AND LEUKOTRIENE B4 CELL PATHWAYS, INC. 2002-10-15 US disclosed
WO-2002067936-A1 METHODS FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE CELL PATHWAYS, INC. (US) 2002-09-06 WO disclosed
US-6426349-B1 ADMINISTERING (Z)-5-FLUORO-2-METHYL-(4-PYRIDYLIDENE)-3-(N-BENZYL) INDENYLACETAMIDE HYDROCHLORIDE; REGULATING APOPTOSIS CELL PATHWAY AND THE UNIVERSITY OF ARIZONA 2002-07-30 US 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
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

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

For each of this compound's patents that has machine-readable text (3 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-20030009033-A1 Substituted condensation products of N-benzyl-3-indenylacent amides with heterocyclic aldehydes for neoplasia ACIN1, AOX1, CCAR2 METAP1 2044/4885L3MBTL1 1489/4885HTR2C 3046/4885
US-20060100210-A1 Methods for treatment of scleroderma SSB, TST, ETF1 METAP1 1914/4885L3MBTL1 2708/4885HTR2C 4067/4885
US-20060252762-A1 Methods for treatment of multiple sclerosis MYT1, PMP22, OTC METAP1 1477/4885L3MBTL1 3311/4885HTR2C 3751/4885

“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.