SCHEMBL477483

SCHEMBL477483

OC(c1ccccc1)c1cc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
BCL2L1 Q07817 1/20 0.46
ALOX5 P09917 3/20 0.45
CYP1A2 P05177 2/20 0.45
PTGES O14684 1/20 0.45
LMNA P02545 1/20 0.45
LTA4H P09960 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
ALOX5AP P20292 1/20 0.45
LOX P28300 1/20 0.45
EPHX2 P34913 1/20 0.45
PTGS2 P35354 1/20 0.45
LTB4R Q15722 1/20 0.45
CYP2A6 P11509 1/20 0.43
MGLL Q99685 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL2963101 0.88 ALOX5 (0.50) BCL2L1ALOX5CYP1A2PTGESLMNA
SCHEMBL6956984 0.86 OPRM1 (0.43) BCL2L1ALOX5CYP1A2PTGESLMNA
SCHEMBL6001011 0.86 HPGD (0.42) HPGDALOX5CYP1A2PTGESLMNA
SCHEMBL6001008 0.86 HPGD (0.42) HPGDALOX5CYP1A2PTGESLMNA
SCHEMBL6001013 0.86 HPGD (0.42) HPGDALOX5CYP1A2PTGESLMNA
SCHEMBL24620828 0.82 SMN1; SMN2 (0.54) HPGDALOX5CYP1A2PTGESLMNA
SCHEMBL6957330 0.82 ALOX5 (0.45) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL6967733 0.82 GAA (0.57) HPGDALOX5CYP1A2PTGESLMNA
SCHEMBL23053140 0.82 ALOX5 (0.42) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL6963880 0.82 ALOX5 (0.42) ALOX5CYP1A2PTGESLMNALTA4H

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021038581-A1 A ONE STEP SYNTHESIS OF 2-SUBSTITUTED BENZO[B]THIOPHENES INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IIT Madras) (IN) 2021-03-04 WO disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
EP-1551822-B1 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LILLY CO ELI (US) 2006-12-20 EP disclosed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US disclosed
EP-1551822-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2005-07-13 EP disclosed
WO-2004009578-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2004-01-29 WO disclosed
EP-1077970-A1 11-ARYL-BENZO(B)NAPHTHO(2,3-D)FURANS AND 11-ARYL-BENZO(B)NAPHTHO(2,3-D)THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
US-6110962-A FOR TREATING INSULIN RESISTANCE, TYPE II DIABETES, HYPERGLYCEMIA, MODULATING INSULIN LEVELS IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-29 US disclosed
WO-1999058521-A1 11-ARYL-BENZO[B]NAPHTHO[2,3-D]FURANS AND 11-ARYL-BENZO[B]NAPHTHO[2,3-D]THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 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 (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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA HPGD 192/4885BCL2L1 3962/4885ALOX5 249/4885
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods NR5A1, NR3C2, OXER1 HPGD 195/4885BCL2L1 4152/4885ALOX5 237/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT HPGD 568/4885BCL2L1 2498/4885ALOX5 982/4885

“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.