SCHEMBL3856527

SCHEMBL3856527

CC(=O)OC(/C=C\c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 3/20 0.46
GLA P06280 1/20 0.46
HCAR2 Q8TDS4 2/20 0.40
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PLIN1 O60240 1/20 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
SCHEMBL1941433 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1CYP3A4TDP1GLA
SCHEMBL1941434 1.00 CYP1A2 (0.53) CYP1A2ALDH1A1CYP3A4TDP1GLA
SCHEMBL3321163 0.86 CYP1A2 (0.56) CYP1A2ALDH1A1TDP1GLAHCAR2
SCHEMBL3321160 0.86 CYP1A2 (0.56) CYP1A2ALDH1A1TDP1GLAHCAR2
SCHEMBL3321162 0.86 CYP1A2 (0.56) CYP1A2ALDH1A1TDP1GLAHCAR2
SCHEMBL24667207 0.84 CYP1A2 (0.47) CYP1A2ALDH1A1CYP3A4TDP1GLA
SCHEMBL27713535 0.84 CYP1A2 (0.47) CYP1A2ALDH1A1CYP3A4TDP1GLA
SCHEMBL7097856 0.82 TDP1 (0.52) CYP1A2ALDH1A1CYP3A4TDP1GLA
SCHEMBL1199677 0.82 TDP1 (0.52) CYP1A2ALDH1A1CYP3A4TDP1GLA
SCHEMBL27100252 0.82 CYP3A4 (0.46) ALDH1A1CYP3A4LMNAMAPTCYP2C9

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
US-20030162994-A1 6,6'-Bis-(1-Phosphanorbornadiene) diphosphines, their preparation and their uses MATHEY FRANCOIS (FR) 2003-08-28 US claimed
US-20020042540-A1 New 6,6'-bis-(1-phosphanorbornadiene) diphosphines, their preparation and their uses MATHEY FRANCOIS (FR) 2002-04-11 US claimed
US-7589196-B2 Amine-substituted biphenyldiphosphines SOLVIAS AG (CH) 2009-09-15 US disclosed
US-7375241-B2 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS A.G. (CH) 2008-05-20 US disclosed
EP-1658298-B1 PHOSPHORUS-CONTAINING IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2008-03-26 EP disclosed
EP-1692151-B1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE SOLVIAS AG (CH) 2007-09-12 EP disclosed
US-20070142655-A1 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS AG (CH) 2007-06-21 US disclosed
US-20070010493-A1 Phospinite-imidazolines and metal complexes thereof SOLVIAS AG (CH) 2007-01-11 US disclosed
US-20060276643-A1 Amine-substituted diphenyldiphosphines FAURECIA SYSTEMES D'ECHAPPEMENT (FR) 2006-12-07 US disclosed
EP-1692151-A1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE Solvias AG (CH) 2006-08-23 EP disclosed
EP-1296994-B1 FERROCENYL DIPHOSPHINES AND THEIR USE SOLVIAS AG (CH) 2005-12-07 EP disclosed
US-20020062027-A1 Phosphinite-oxazolines and metal complexes SOLVIAS AG (CH) 2002-05-23 US disclosed
US-20020042540-A1 New 6,6'-bis-(1-phosphanorbornadiene) diphosphines, their preparation and their uses MATHEY FRANCOIS (FR) 2002-04-11 US disclosed
EP-1191030-A2 Phosphinite-oxazolines and metal complexes Solvias AG (CH) 2002-03-27 EP disclosed
WO-2002002578-A1 FERROCENYL DIPHOSPHINES AND THEIR USE SOLVIAS AG (CH) 2002-01-10 WO disclosed
EP-1155024-A1 CHIRAL DIAZAPHOSPHOLIDINE LIGANDS The University of Warwick (GB) 2001-11-21 EP disclosed
US-6288279-B1 THEIR PREPARATION PROCESS AND THEIR USE IN ASYMMETRICAL CATALYSIS. REARRANGING A DIPHOSPHOLE, REACTING THE DIPHOSPHOLE WITH AN ACETYLENIC COMPOUND TO FORM THE DIPHOSPHINE RHODIA CHIMIE (FR) 2001-09-11 US disclosed
WO-2000050430-A1 CHIRAL DIAZAPHOSPHOLIDINE LIGANDS THE UNIVERSITY OF WARWICK (GB) 2000-08-31 WO disclosed
EP-0968220-A1 6,6'-BIS-(1-PHOSPHANORBORNADIENE) DIPHOSPHINES RHODIA CHIMIE (FR) 2000-01-05 EP disclosed
WO-1998039345-A1 6,6'-BIS-(1-PHOSPHANORBORNADIENE) DIPHOSPHINES RHODIA CHIMIE (FR) 1998-09-11 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 (6 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-20060276643-A1 Amine-substituted diphenyldiphosphines DDC, PNMT, DDT CYP1A2 239/4885ALDH1A1 389/4885CYP3A4 323/4885
US-20070142655-A1 Ferrocenyl-1,2-diphosphines, the production thereof and their use PHOSPHO1, INPP5B, PPA1 CYP1A2 2139/4885ALDH1A1 2167/4885CYP3A4 2821/4885
US-20020062027-A1 Phosphinite-oxazolines and metal complexes OXER1, OXGR1, H1-4 CYP1A2 791/4885ALDH1A1 661/4885CYP3A4 452/4885
US-20070010493-A1 Phospinite-imidazolines and metal complexes thereof H1-0, H1-2, H1-3 CYP1A2 610/4885ALDH1A1 2937/4885CYP3A4 606/4885
US-20020042540-A1 New 6,6'-bis-(1-phosphanorbornadiene) diphosphines, their preparation and their uses PHOSPHO1, DUS2, DCPS CYP1A2 545/4885ALDH1A1 1460/4885CYP3A4 867/4885
US-20030162994-A1 6,6'-Bis-(1-Phosphanorbornadiene) diphosphines, their preparation and their uses DUS2, PHOSPHO1, DCPS CYP1A2 303/4885ALDH1A1 1115/4885CYP3A4 660/4885

“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.