SCHEMBL20501772

SCHEMBL20501772

COC(=O)[C@H]1CC[C@H](OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EPHX2 P34913 1/20 0.49
TMEM97 Q5BJF2 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
GAA P10253 2/20 0.46
CPB1 P15086 1/20 0.45
TSHR P16473 2/20 0.44
DPP4 P27487 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43

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
SCHEMBL15511981 1.00 ALDH1A1 (0.52) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL13470194 1.00 ALDH1A1 (0.52) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL17103461 0.87 PKM (0.55) ALDH1A1MAPTNPSR1NPC1PKM
SCHEMBL27377437 0.87 PKM (0.55) ALDH1A1MAPTNPSR1NPC1PKM
SCHEMBL17103459 0.87 PKM (0.55) ALDH1A1MAPTNPSR1NPC1PKM
SCHEMBL6019299 0.86 ALDH1A1 (0.46) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL6018931 0.86 ALDH1A1 (0.46) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL6018928 0.86 ALDH1A1 (0.46) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL760583 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL760582 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHPGDNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609888-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF LILLY CO ELI (US) 2025-08-27 EP disclosed
EP-4596041-A2 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Organovo, Inc. (US) 2025-08-06 EP disclosed
CN-110637015-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-04-02 CN disclosed
US-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-24 US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 US disclosed
EP-3609888-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2020-02-19 EP disclosed
CN-110637015-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2019-12-31 CN disclosed
WO-2018170182-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 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-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885MAPT 4394/4885HPGD 563/4885
US-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 ALDH1A1 2205/4885MAPT 4394/4885HPGD 563/4885

“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.