SCHEMBL17952605

SCHEMBL17952605

Cc1ccc(C)c(N2c3c(C#N)ccc(C#N)c3N(C)[C@@H]2C)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ AR P10275 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
SCHEMBL17952390 0.89 NPSR1 (0.36) ALDH1A1KDM4EHSD17B10FFAR4MEN1
SCHEMBL17952099 0.86 AR (0.32) ALDH1A1KDM4EHPGDKMT2ATSHR
SCHEMBL17952093 0.86 AR (0.31) KDM4ETSHRAR
SCHEMBL17947665 0.85 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL17952489 0.85 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL17952112 0.84 THRB (0.34) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL17952237 0.84 THRB (0.34) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL17952267 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL17952388 0.83 TSHR (0.41) ALDH1A1KDM4EGLAGAAMEN1
SCHEMBL17952343 0.82 AR (0.36) ALDH1A1KDM4EHSD17B10ALOX15AR

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 4426/4885HSD17B10 1680/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885HSD17B10 1680/4885

“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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