SCHEMBL20848213

SCHEMBL20848213

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 9/20 0.61
▸ RARB P10826 9/20 0.61
▸ RARG P13631 9/20 0.61
▸ CYP3A4 P08684 4/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ CYP26A1 O43174 3/20 0.61
▸ CYP26B1 Q9NR63 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ BACE2 Q9Y5Z0 2/20 0.34
▸ RXRA P19793 2/20 0.32
▸ CRABP2 P29373 1/20 0.30

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
SCHEMBL8765958 0.86 CYP3A4 (0.68) RARARARBRARGCYP3A4KMT2A
SCHEMBL20848214 0.79 CYP3A4 (0.75) RARARARBRARGCYP3A4KMT2A
SCHEMBL30374281 0.79 CYP3A4 (0.69) RARARARBRARGCYP3A4KMT2A
SCHEMBL860637 0.79 CYP3A4 (0.69) RARARARBRARGCYP3A4KMT2A
SCHEMBL17885757 0.78 CYP3A4 (0.71) RARARARBRARGCYP3A4KMT2A
SCHEMBL180442 0.78 CYP3A4 (0.70) RARARARBRARGCYP3A4KMT2A
SCHEMBL19560666 0.78 RARA (0.82) RARARARBRARGCYP3A4KMT2A
SCHEMBL6665694 0.78 CYP3A4 (0.70) RARARARBRARGCYP3A4KMT2A
SCHEMBL5485071 0.78 CYP3A4 (0.70) RARARARBRARGCYP3A4KMT2A
SCHEMBL8765953 0.77 CYP3A4 (0.67) RARARARBRARGCYP3A4KMT2A

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 RARA 1/4885RARB 2/4885RARG 3/4885

“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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