SCHEMBL17952392

SCHEMBL17952392

Cc1ccc(C)c(N2c3c(C#N)cc(C#N)cc3N(C)[C@@H]2C)c1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ THRB P10828 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
SCHEMBL17952117 0.90 NPSR1 (0.33) ALDH1A1KDM4EGAACYP1A2CYP3A4
SCHEMBL17952327 0.90 ALDH1A1 (0.31) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL17952240 0.86 — —
SCHEMBL17952113 0.86 TSHR (0.36) ALDH1A1KDM4EGAAGLACYP1A2
SCHEMBL17952387 0.86 — —
SCHEMBL17952634 0.85 AR (0.31) ALDH1A1KDM4EHSD17B10
SCHEMBL17952337 0.85 GAA (0.34) ALDH1A1KDM4EGAAGLACYP1A2
SCHEMBL17952233 0.85 ALDH1A1 (0.35) ALDH1A1CYP2A6
SCHEMBL17952602 0.84 — —
SCHEMBL17952489 0.84 ALDH1A1 (0.34) ALDH1A1KDM4EGAAGLAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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 (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-10418569-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885GAA 2911/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885GAA 2911/4885

“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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