SCHEMBL3715296

SCHEMBL3715296

O=[C]C=Cc1ccc(C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
ALDH1A1 P00352 6/20 0.42
EGFR P00533 2/20 0.40
KMT2A Q03164 1/20 0.40
TYR P14679 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2A13 Q16696 1/20 0.39
ALDH1A3 P47895 2/20 0.37
ALDH3A1 P30838 1/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL3715295 1.00 CYP2A6 (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL2345016 0.78 NFE2L2 (0.48) CYP2A6ALDH1A1KMT2A
SCHEMBL196959 0.78 APP (0.52) HSD17B10ALDH5A1ABATALDH1A1EGFR
SCHEMBL3051230 0.78 APP (0.52) ALDH1A1KMT2A
SCHEMBL11042248 0.78 APP (0.43) KDM4E
SCHEMBL2339964 0.78 CYP2C19 (0.42) CYP2A6ALDH1A1KMT2AKDM4E
SCHEMBL6606539 0.78 KDM4E (0.55) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL11042246 0.78 APP (0.43) KDM4E
SCHEMBL2345013 0.78 NFE2L2 (0.48) CYP2A6ALDH1A1KMT2A
SCHEMBL2342481 0.78 CYP1A2 (0.50) CYP2A6HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 US claimed
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS, INC. (US) 2006-01-19 US claimed
EP-0929574-B1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2005-06-29 EP claimed
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS INC. 2002-08-01 US claimed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO claimed
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US disclosed
US-20090106856-A1 Selection System for Wheat BASF PLANT SCIENCE GMBH (DE) 2009-04-23 US disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO disclosed
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US disclosed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 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 (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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CYP2A6 3217/4885HSD17B10 3094/4885ALDH5A1 4142/4885
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids IAPP, APP, VIP CYP2A6 2880/4885HSD17B10 3036/4885ALDH5A1 3800/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CYP2A6 3217/4885HSD17B10 3094/4885ALDH5A1 4142/4885

“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.