SCHEMBL17952489

SCHEMBL17952489

Cc1ccc(C)c(N2c3c(C#N)cccc3N(C)[C@@H]2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ GAA P10253 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALOX15 P16050 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
SCHEMBL17947665 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL17952168 0.90 NPSR1 (0.33) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17952522 0.87 KDM4E (0.33) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17952164 0.87 KDM4E (0.37) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17952163 0.87 TSHR (0.43) ALDH1A1KDM4EGAAHPGDALOX12
SCHEMBL17952185 0.85 SMN1; SMN2 (0.36) ALDH1A1KDM4EGAAGLATSHR
SCHEMBL17952605 0.85 ALDH1A1 (0.33) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL17952166 0.84 KDM4E (0.34) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL17952392 0.84 ALDH1A1 (0.31) ALDH1A1KDM4EGAAGLAHTT
SCHEMBL17952237 0.84 THRB (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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