SCHEMBL17947665

SCHEMBL17947665

Cc1ccc(C)c(N2c3cccc(C#N)c3N(C)[C@@H]2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ CYP1A2 P05177 3/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL17947668 0.90 NPSR1 (0.33) ALDH1A1KDM4ETSHRNOTUMKMT2A
SCHEMBL17952489 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EGLAGAAHTT
SCHEMBL17947330 0.87 KDM4E (0.33) ALDH1A1KDM4ETSHRNOTUMKMT2A
SCHEMBL17947375 0.87 KDM4E (0.37) ALDH1A1KDM4EGAATSHRNOTUM
SCHEMBL17947667 0.87 TSHR (0.43) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL17947670 0.85 SMN1; SMN2 (0.36) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL17952605 0.85 ALDH1A1 (0.33) ALDH1A1KDM4EGLAGAAHTT
SCHEMBL17947374 0.84 TSHR (0.34) ALDH1A1KDM4EGAATHRBTSHR
SCHEMBL17952327 0.84 ALDH1A1 (0.31) ALDH1A1KDM4EGLAGAAHTT
SCHEMBL17952112 0.84 THRB (0.34) ALDH1A1KDM4EGLAGAAHTT

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 3 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
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 4426/4885GLA 1850/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 ALDH1A1 1620/4885KDM4E 4426/4885GLA 1850/4885

“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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