SCHEMBL4894881

SCHEMBL4894881

Ic1ccc(-c2ccc(Nc3cccc4ccccc34)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
HSD17B10 Q99714 2/20 0.65
CDC25B P30305 2/20 0.65
ALDH1A1 P00352 1/20 0.65
TP53 P04637 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
ATM Q13315 1/20 0.65
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
FADS1 O60427 1/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL74528 0.91 HSD17B10 (0.77) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL29521400 0.91 HSD17B10 (0.77) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL30556528 0.87 ALDH1A1 (0.78) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL10034433 0.87 ALDH1A1 (0.78) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL2794401 0.87 ALDH1A1 (0.78) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL29407531 0.87 ALDH1A1 (0.78) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL5907883 0.87 ALDH1A1 (0.49) CYP3A4HSD17B10CDC25BALDH1A1TP53
Ammonia Solution, Strong SCHEMBL25181640 0.86 ALDH1A1 (0.75) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL4884667 0.86 ALDH1A1 (0.81) CYP3A4HSD17B10CDC25BALDH1A1TP53
SCHEMBL4896160 0.86 ALDH1A1 (0.75) CYP3A4HSD17B10CDC25BALDH1A1TP53

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-20080176101-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-24 US disclosed
US-20060217572-A1 Aromatic amine derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-09-28 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-20080176101-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME TYR, MAOA, KCNN2 CYP3A4 1156/4885HSD17B10 3288/4885CDC25B 1850/4885
US-20060217572-A1 Aromatic amine derivative and organic electroluminescence device employing the same TYR, MAOA, KCNN2 CYP3A4 1156/4885HSD17B10 3288/4885CDC25B 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.