SCHEMBL20848214

SCHEMBL20848214

COCC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.75
▸ CYP26A1 O43174 3/20 0.75
▸ RARA P10276 11/20 0.75
▸ RARB P10826 11/20 0.75
▸ RARG P13631 11/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ RXRA P19793 2/20 0.40
▸ CRABP2 P29373 1/20 0.39
▸ CYP26B1 Q9NR63 1/20 0.36
▸ GRM5 P41594 3/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ SSTR5 P35346 1/20 0.34

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
SCHEMBL19560666 0.87 RARA (0.82) CYP3A4CYP26A1RARARARBRARG
Tazarotenic Acid SCHEMBL678713 0.86 CYP3A4 (1.00) CYP3A4CYP26A1RARARARBRARG
Tazarotenic Acid SCHEMBL29433140 0.86 CYP3A4 (1.00) CYP3A4CYP26A1RARARARBRARG
Tazarotenic Acid SCHEMBL29466098 0.86 CYP3A4 (1.00) CYP3A4CYP26A1RARARARBRARG
SCHEMBL14330777 0.86 CYP3A4 (0.84) CYP3A4CYP26A1RARARARBRARG
Tazarotene SCHEMBL3134 0.86 RARA (1.00) CYP3A4CYP26A1RARARARBRARG
Tazarotene SCHEMBL29397163 0.86 RARA (1.00) CYP3A4CYP26A1RARARARBRARG
Tazarotene SCHEMBL5747908 0.86 RARA (1.00) CYP3A4CYP26A1RARARARBRARG
Tazarotene SCHEMBL29512592 0.86 RARA (1.00) CYP3A4CYP26A1RARARARBRARG
SCHEMBL5482303 0.85 CYP3A4 (0.83) CYP3A4CYP26A1RARARARBRARG

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-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-03-28 — — 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-20190092744-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG CYP3A4 882/4885CYP26A1 77/4885RARA 1/4885

“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.

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