SCHEMBL20501608

SCHEMBL20501608

COC(=O)C1CCC(CC(=O)C=[N+]=[N-])CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20501611 1.00 HPGD (0.37) HPGDTP53ALDH1A1GAASMN1; SMN2
SCHEMBL21805130 0.85 KMT2A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21805829 0.80 PLG (0.46) ALDH1A1MEN1KMT2A
SCHEMBL20501606 0.78 TP53 (0.40) HPGDTP53ALDH1A1GAASMN1; SMN2
SCHEMBL14892803 0.78 TP53 (0.40) HPGDTP53ALDH1A1GAASMN1; SMN2
SCHEMBL14892804 0.78 TP53 (0.40) HPGDTP53ALDH1A1GAASMN1; SMN2
SCHEMBL11091753 0.76 KMT2A (0.38) HPGDKMT2ANPC1RAB9A
SCHEMBL46300 0.74 TP53 (0.42) HPGDTP53ALDH1A1GAASMN1; SMN2
SCHEMBL11516859 0.74 EPHX1 (0.41) HPGDSMN1; SMN2KMT2APOLBNPC1
SCHEMBL14892272 0.74 TP53 (0.42) HPGDTP53ALDH1A1GAASMN1; SMN2

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 12 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-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 US disclosed
EP-3852737-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
CN-113056264-A Farnesoin X receptor agonists and uses thereof 梅塔科林公司 2021-06-29 CN disclosed
WO-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO 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 (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-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 HPGD 563/4885TP53 3878/4885ALDH1A1 2205/4885
US-20220089575-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 HPGD 563/4885TP53 3878/4885ALDH1A1 2205/4885
US-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 HPGD 563/4885TP53 3878/4885ALDH1A1 2205/4885

“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.