SCHEMBL21805979

SCHEMBL21805979

COC(=O)C12CCC(c3ccc(OC)cc3)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAAA Q02083 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL22026919 0.90 NAAA (0.46) ATML3MBTL1NAAAMMP1MMP2
SCHEMBL22026882 0.85 LMNA (0.45) ATML3MBTL1NAAAMMP1MMP2
SCHEMBL25387067 0.85 NAAA (0.52) ATML3MBTL1NAAASMN1; SMN2ALDH1A1
SCHEMBL22027277 0.85 DGAT1 (0.46) ATML3MBTL1NAAAMMP1MMP2
SCHEMBL22027306 0.85 CA12 (0.40) CA1CA2MAPTKDM4EKMT2A
SCHEMBL22083804 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL22027167 0.84 PLK1 (0.45) ATML3MBTL1NAAAMMP1MMP2
SCHEMBL22027280 0.83 POLB (0.39) L3MBTL1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL204803 0.83 CHRM1 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTMAPK1
SCHEMBL1502311 0.83 MEN1 (0.51) L3MBTL1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448508-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2023-11-30 US disclosed
US-11773094-B2 Farnesoid X receptor agonists and uses thereof ORGANOVO, INC. (US) 2023-10-03 US disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
US-20220002309-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2022-01-06 US disclosed
US-20220002309-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2022-01-06 US disclosed
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2020-06-11 US disclosed
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2020-06-11 US disclosed
WO-2020061118-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 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 (4 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-11773094-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 ATM 3665/4885L3MBTL1 4422/4885NAAA 2999/4885
US-20220002309-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA ATM 1181/4885L3MBTL1 4088/4885NAAA 720/4885
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA ATM 1181/4885L3MBTL1 4088/4885NAAA 720/4885
US-20230382913-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ATM 3665/4885L3MBTL1 4422/4885NAAA 2999/4885

“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.