SCHEMBL2083566

SCHEMBL2083566

Cc1oc2cc(O)ccc2c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 7/20 0.54
HSD17B3 P37058 4/20 0.53
AKR1B1 P15121 2/20 0.53
GAA P10253 6/20 0.53
HPGD P15428 5/20 0.53
GLA P06280 4/20 0.53
POLB P06746 1/20 0.52
HSD17B10 Q99714 5/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
CYP2C9 P11712 2/20 0.51
CA12 O43570 1/20 0.51
CYP1A2 P05177 1/20 0.51
UGT1A1 P22309 1/20 0.51

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
SCHEMBL11881228 0.89 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B3AKR1B1GAA
SCHEMBL29630216 0.86 HTT (0.64) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL24470616 0.86 HTT (0.64) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL2084303 0.82 GAA (0.63) ALDH1A1KDM4EHSD17B3AKR1B1GAA
SCHEMBL944525 0.82 GAA (0.52) ALDH1A1KDM4EHSD17B3AKR1B1GAA
SCHEMBL5241666 0.82 GAA (0.52) ALDH1A1KDM4EHSD17B3AKR1B1GAA
SCHEMBL14925431 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B3AKR1B1GAA
SCHEMBL2226810 0.79 HSD17B3 (0.71) ALDH1A1KDM4EHSD17B3AKR1B1GAA
SCHEMBL4965650 0.79 KDM4E (0.64) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL5240410 0.79 GAA (0.56) ALDH1A1KDM4EHSD17B3AKR1B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022125-A1 PYRROLOPYRIDAZINE VEGFR INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-22 US disclosed
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 US disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
EP-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 EP disclosed
WO-2007066181-A2 METHODS OF PREPARING A VEGF-R INHIBITOR PFIZER PRODUCTS INC. (US) 2007-06-14 WO disclosed
US-7045528-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2006-04-13 US disclosed
US-6869962-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-03-22 US disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 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 (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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES COQ8B, COQ8A, MCM5 ALDH1A1 2332/4885KDM4E 2328/4885HSD17B3 1846/4885
US-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 ALDH1A1 2072/4885KDM4E 4469/4885HSD17B3 138/4885
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP ALDH1A1 836/4885KDM4E 1154/4885HSD17B3 2318/4885
US-20260022125-A1 PYRROLOPYRIDAZINE VEGFR INHIBITORS FLT1, KDR, FLT4 ALDH1A1 397/4885KDM4E 3048/4885HSD17B3 489/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP ALDH1A1 836/4885KDM4E 1154/4885HSD17B3 2318/4885
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use TPD52L2, DPYD, CCND2 ALDH1A1 1017/4885KDM4E 901/4885HSD17B3 3505/4885

“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.