SCHEMBL6037049

SCHEMBL6037049

CC1(C)CCOc2ccc(C#Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.67
RARG P13631 14/20 0.67
RARA P10276 11/20 0.67
CYP26A1 O43174 3/20 0.67
CYP3A4 P08684 2/20 0.67
CRABP2 P29373 1/20 0.67
RXRA P19793 2/20 0.52
HNF4A P41235 2/20 0.52
CYP26B1 Q9NR63 1/20 0.49
SSTR5 P35346 2/20 0.47

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
SCHEMBL1320433 0.86 CYP3A4 (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7143159 0.85 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2240304 0.85 RARB (0.76) RARBRARGRARACYP26A1RXRA
SCHEMBL9817651 0.84 RARB (0.53) RARBRARGRARACYP26A1CYP3A4
Hydrochloric Acid SCHEMBL9133279 0.84 RARB (0.74) RARBRARGRARACYP26A1RXRA
SCHEMBL8559730 0.83 RARB (0.54) RARBRARGRARACYP26A1CYP3A4
SCHEMBL10563217 0.83 RARB (0.70) RARBRARGRARACYP26A1RXRA
Terephthalic Acid SCHEMBL27259372 0.83 RARB (0.66) RARBRARGRARACYP26A1RXRA
Terephthalic Acid SCHEMBL27345449 0.83 RARB (0.66) RARBRARGRARACYP26A1RXRA
SCHEMBL7139314 0.83 RARB (0.52) RARBRARGRARACYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290130-B1 ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1991-11-06 EP claimed
US-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 US claimed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 EP claimed
US-20060030597-A1 Method of inhibiting angiogenesis GERRITSEN MARY E 2006-02-09 US disclosed
US-20010036955-A1 Method of inhibiting angiogenesis GENENTECH, INC. 2001-11-01 US disclosed
EP-0290130-B1 ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A HETEROBICYCLIC GROUP HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1991-11-06 EP disclosed
US-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 US disclosed
EP-0290130-A1 Acetylenes disubstituted with a phenyl group and a heterobicyclic group having retinoid like activity ALLERGAN, INC (US) 1988-11-09 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 (2 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-20060030597-A1 Method of inhibiting angiogenesis PPARG, PPARA, RXRG RARB 13/4885RARG 10/4885RARA 21/4885
US-20010036955-A1 Method of inhibiting angiogenesis PPARG, PPARA, RXRG RARB 13/4885RARG 10/4885RARA 21/4885

“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.