SCHEMBL497983

SCHEMBL497983

COC(=O)c1ccc(-c2ccc(O)cc2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.69
CA12 O43570 5/20 0.59
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA7 P43166 5/20 0.59
CA9 Q16790 5/20 0.59
CA14 Q9ULX7 5/20 0.59
SLC2A1 P11166 1/20 0.59
EGFR P00533 2/20 0.57
ESR2 Q92731 2/20 0.54
ESR1 P03372 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6883774 0.90 HSD17B1 (0.59) HSD17B1CA12CA1CA2CA7
SCHEMBL28255681 0.88 SLC2A1 (0.63) HSD17B1CA12CA1CA2CA7
SCHEMBL2773084 0.87 CA12 (0.58) HSD17B1CA12CA1CA2CA7
SCHEMBL26571944 0.85 TDP1 (0.61) HSD17B1CA12CA1CA2CA7
SCHEMBL2770758 0.84 HSD17B1 (0.56) HSD17B1CA12CA1CA2CA7
SCHEMBL28661980 0.84 HSD17B1 (0.65) HSD17B1CA12CA1CA2CA7
SCHEMBL28905197 0.84 SLC2A1 (0.59) HSD17B1CA12CA1CA2CA7
SCHEMBL22824130 0.83 SLC2A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6102320 0.83 SLC2A1 (0.58) HSD17B1CA12CA1CA2CA7
SCHEMBL26571353 0.83 SLC2A1 (0.58) HSD17B1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN claimed
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN disclosed
CN-113748021-A Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2021-12-03 CN disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 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
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
EP-0888357-A1 AZASPIRO DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-01-07 EP disclosed
WO-1997034900-A1 AZASPIRO DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1997-09-25 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 (2 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 HSD17B1 113/4885CA12 4483/4885CA1 4489/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 HSD17B1 119/4885CA12 4104/4885CA1 3660/4885

“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.