SCHEMBL9318320

SCHEMBL9318320

Cc1cc2c(cc1C#Cc1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.58
RXRB P28702 9/20 0.58
RXRG P48443 9/20 0.58
RARB P10826 7/20 0.58
RARG P13631 7/20 0.58
RARA P10276 6/20 0.58
PPARG P37231 2/20 0.58
CYP26A1 O43174 3/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 1/20 0.49
ABCB11 O95342 1/20 0.49
ESR1 P03372 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL6664628 0.86 CYP3A4 (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL9268128 0.85 RARA (0.62) RXRARXRBRXRGRARBRARG
SCHEMBL24410706 0.85 CYP3A4 (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL24410726 0.84 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL5084210 0.82 CYP3A4 (0.72) RXRARXRBRXRGRARBRARG
SCHEMBL7669063 0.82 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL6880222 0.82 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL8890100 0.82 CYP3A4 (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL8891765 0.82 CYP3A4 (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL9483542 0.81 RARB (0.71) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP claimed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP claimed
US-20220144783-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION UNIVERSITY OF DURHAM (GB) 2022-05-12 US disclosed
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP disclosed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP 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-20220144783-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION RARA, RXRA, RARB RXRA 2/4885RXRB 5/4885RXRG 6/4885

“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.