SCHEMBL17404076

SCHEMBL17404076

CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3c3cccc1c23

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK2 Q15119 2/20 0.33

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
SCHEMBL17404015 0.98 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404047 0.96 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404070 0.95 ALDH1A1 (0.31) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404077 0.95 ALDH1A1 (0.34) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404080 0.95 ALDH1A1 (0.31) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404098 0.93 ALDH1A1 (0.31) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404083 0.93 PDK2 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404100 0.92 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17404066 0.92 GPR84 (0.32) PDK2
SCHEMBL17404104 0.92 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9793500-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-9793500-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 US disclosed
US-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 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-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNE2, CCNE1 ALDH1A1 896/4885HPGD 3913/4885TSHR 2045/4885

“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.