SCHEMBL17658014

SCHEMBL17658014

c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)sc2c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c4ccccc4c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL17658047 1.00 ALDH1A1 (0.30) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL18214142 0.94 HPRT1 (0.34) ALDH1A1CYP1A2HSD17B10
SCHEMBL17658076 0.94 HPRT1 (0.34) ALDH1A1CYP1A2HSD17B10
SCHEMBL17658178 0.93 LIMK1 (0.34) —
SCHEMBL17658341 0.93 HPRT1 (0.35) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL17658305 0.93 HPRT1 (0.35) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL13508012 0.92 CYP1A2 (0.32) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL17658012 0.92 KDM4E (0.33) ALDH1A1CYP1A2HPGD
SCHEMBL17658610 0.92 CYP2A6 (0.35) CYP1A2
SCHEMBL17658296 0.92 HTT (0.36) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 — — US disclosed
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 — — US disclosed
US-9856243-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-02 — — US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 — — US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 — — US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 — — US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 — — 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-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, MCM4 ALDH1A1 471/4885CYP1A2 470/4885THRB 4455/4885

“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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