SCHEMBL6734666

SCHEMBL6734666

COC(=O)c1ccc2c(c1)C(C)(c1ccc3c(c1)CCCC3)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
RARA P10276 2/20 0.42
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL8093767 0.88 RARB (0.47) RARBRARGRARAALDH1A1TSHR
SCHEMBL8101333 0.87 RARB (0.47) RARBRARGRARAALDH1A1NPC1
SCHEMBL8094176 0.84 RARB (0.48) RARBRARGRARAALDH1A1NPC1
SCHEMBL29595859 0.83 RARB (0.52) RARBRARGRARAALDH1A1TSHR
SCHEMBL20887637 0.83 RARB (0.52) RARBRARGRARAALDH1A1TSHR
SCHEMBL6734636 0.83 CYP3A4 (0.51) RARBRARGRARAALDH1A1TSHR
SCHEMBL16744298 0.77 RARB (0.73) RARBRARGRARAALDH1A1TSHR
SCHEMBL31544703 0.76 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AATML3MBTL1
SCHEMBL2633409 0.76 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AATML3MBTL1
SCHEMBL6729797 0.76 RARB (0.47) RARBRARGRARALMNAMAPT

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-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof DIAZ PHILIPPE (FR) 2004-08-19 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-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof TYR, MITF, CYP1B1 RARB 619/4885RARG 576/4885RARA 617/4885

“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.