SCHEMBL21021078

SCHEMBL21021078

C=Cc1ccc(-c2ccc(Nc3cccc4ccccc34)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.59
▸ CDC25B P30305 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ RAB9A P51151 2/20 0.53
▸ FADS1 O60427 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL6733723 0.95 HSD17B10 (0.65) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL74528 0.87 HSD17B10 (0.77) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL29521400 0.87 HSD17B10 (0.77) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL30556528 0.83 ALDH1A1 (0.78) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL10034433 0.83 ALDH1A1 (0.78) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL2794401 0.83 ALDH1A1 (0.78) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL29407531 0.83 ALDH1A1 (0.78) HSD17B10CDC25BALDH1A1TP53CYP3A4
Ammonia Solution, Strong SCHEMBL25181640 0.82 ALDH1A1 (0.75) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL4884667 0.82 ALDH1A1 (0.81) HSD17B10CDC25BALDH1A1TP53CYP3A4
SCHEMBL5361783 0.82 HSD17B10 (0.69) HSD17B10CDC25BALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2019-05-23 — — 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-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME DRD1, DRD3, DRD4 HSD17B10 1951/4885CDC25B 1626/4885ALDH1A1 30/4885

“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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