SCHEMBL23873746

SCHEMBL23873746

Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(C#N)ccc2-3)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.45
▸ ALK Q9UM73 7/20 0.43
▸ PDK2 Q15119 3/20 0.41
▸ AR P10275 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2A6 P11509 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
SCHEMBL25757472 0.88 PGR (0.48) PGRALKPDK2AR
SCHEMBL26506713 0.87 PDK2 (0.51) PGRALKPDK2
SCHEMBL13563095 0.86 PGR (0.47) PGRALKPDK2AR
SCHEMBL14261879 0.84 ALK (0.46) PGRALKPDK2
SCHEMBL18914750 0.83 PGR (0.53) PGRALKPDK2AR
SCHEMBL18907195 0.82 ALDH1A1 (0.47) ALKPDK2ALDH1A1CYP2A6
SCHEMBL15763534 0.82 PGR (0.46) PGRALKPDK2ALDH1A1
SCHEMBL23624452 0.81 ALDH1A1 (0.42) ALKPDK2ALDH1A1CYP2A6
SCHEMBL20405285 0.80 PDK2 (0.49) PGRALKPDK2ARALDH1A1
SCHEMBL15763532 0.78 PGR (0.49) PGRPDK2ARALDH1A1

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-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-09-30 — — 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-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE AOC2, RUVBL2, RUVBL1 PGR 645/4885ALK 3332/4885PDK2 3314/4885

“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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