SCHEMBL25866546

SCHEMBL25866546

Oc1cc(-c2ccc(-c3ccccc3)cc2)ccc1CC(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
ACMSD Q8TDX5 3/20 0.46
HNF4A P41235 2/20 0.46
ESR2 Q92731 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BACE1 P56817 1/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL23558239 0.88 HSD17B1 (0.57) ESR2MEN1KMT2ACYP1A2APP
SCHEMBL51661 0.80 ALOX5 (0.61) ALOX5ACMSDHNF4AESR2KDM4E
SCHEMBL29059236 0.79 ALOX5 (0.59) ALOX5ACMSDHNF4AESR2KDM4E
SCHEMBL27292719 0.77 ALOX5 (0.57) ALOX5ACMSDHNF4AESR2KDM4E
SCHEMBL4199791 0.77 ALOX5 (0.57) ALOX5ACMSDHNF4AESR2KDM4E
SCHEMBL3924845 0.77 ALOX5 (0.57) ALOX5ACMSDHNF4AESR2KDM4E
SCHEMBL11724859 0.76 AKR1B1 (0.59) ALOX5ACMSDHNF4AKDM4ELMNA
SCHEMBL23558555 0.74 ALOX5 (0.45) ALOX5ACMSDESR2CYP1A2MCL1
SCHEMBL8931392 0.73 HSPA5 (0.56) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL5306483 0.73 ALOX5 (0.52) ALOX5ACMSDHNF4AESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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 (1 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ALOX5 977/4885ACMSD 4619/4885HNF4A 2752/4885

“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.