SCHEMBL14950786

SCHEMBL14950786

CCCCC(CC)COC(=O)c1ccc(N/N=C(/C(C)=O)C(=O)Nc2ccc(NC(=O)CC(C)=O)cc2)cc1C(=O)OCC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 4/20 0.53
MAPK1 P28482 4/20 0.53
CYP3A4 P08684 3/20 0.47
CA2 P00918 1/20 0.47
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
LMNA P02545 3/20 0.42
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 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
SCHEMBL14947843 0.90 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL14947847 0.87 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL14950977 0.85 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL14950965 0.77 POLB (0.40) ALDH1A1TSHRMAPK1CA2LMNA
SCHEMBL29351184 0.71 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL34167 0.71 TSHR (1.00) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL26190010 0.70 ALDH1A1 (0.97) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL10763925 0.70 ALDH1A1 (0.78) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL226379 0.69 ALDH1A1 (0.77) ALDH1A1TSHRMAPK1CYP3A4CA2
SCHEMBL828867 0.69 ALDH1A1 (0.85) ALDH1A1TSHRMAPK1CYP3A4CA2

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-8815485-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-16 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-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER TYR, CRY1, MITF ALDH1A1 1826/4885TSHR 2792/4885MAPK1 1759/4885

“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.