SCHEMBL1187136

SCHEMBL1187136

CCc1cc(O)c(N)c(CC)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
BACE1 P56817 1/20 0.44
HSPA5 P11021 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
DHFR P00374 1/20 0.37
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD17B1 P14061 1/20 0.34

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
SCHEMBL112571 0.84 HTT (0.52) BACE1HSPA5POLBHTTMEN1
SCHEMBL28505038 0.80 PTPN1 (0.44) BACE1POLBHTTMEN1KMT2A
SCHEMBL11803532 0.77 HTT (0.42) BACE1HSPA5POLBHTTMEN1
SCHEMBL2174289 0.77 TRPA1 (0.48) TRPA1BACE1HSPA5POLBHTT
SCHEMBL10824494 0.77 HTT (0.47) BACE1HSPA5POLBHTTMEN1
SCHEMBL5195249 0.77 ALOX15 (0.50) TRPA1BACE1HSPA5HTTMEN1
SCHEMBL9976443 0.77 ALDH1A1 (0.38) BACE1HSPA5POLBHTTMEN1
SCHEMBL1988566 0.76 TRPA1 (0.46) TRPA1BACE1HSPA5HTTMEN1
SCHEMBL9853387 0.76 ALDH1A1 (0.50) BACE1HSPA5POLBHTTMEN1
SCHEMBL19972023 0.76 HTT (0.41) BACE1HSPA5POLBHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed
US-20110030151-A1 COMPOSITIONS COMPRISING DISCRETE PARTICLES AGGREGATES AND DISCRETE PARTICLE AGGLOMERATES FOR APPLICATION TO KERATIN FIBERS TREMBLAY MARIO ELMEN 2011-02-10 US disclosed
US-7695525-B2 Hair dyeing compositions comprising 2-(amino or substituted amino)-3-5-substituted phenol compounds and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-04-13 US disclosed
EP-1634572-B1 Hair dyeing compositions comprising 2-Amino-3-5-substituted phenol compounds and use thereof PROCTER & GAMBLE (US) 2010-04-07 EP disclosed
US-20060248663-A1 Compositions comprising discrete particles aggregates and discrete particle agglomerates for application to keratin fibers THE PROCTER & GAMBLE COMPANY 2006-11-09 US disclosed
EP-1634572-A1 Hair dyeing compositions comprising 2-(Amino or substituted Amino)-3-5-substituted phenol compounds and use thereof The Procter and Gamble Company (US) 2006-03-15 EP disclosed
US-20060032002-A1 Hair dyeing compositions comprising 2-(amino or substituted amino)-3-5-substituted phenol compounds and use thereof PROCTER & GAMBLE COMPANY, THE 2006-02-16 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 (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-20060032002-A1 Hair dyeing compositions comprising 2-(amino or substituted amino)-3-5-substituted phenol compounds and use thereof KRT18, TYR, TH TRPA1 754/4885BACE1 2869/4885HSPA5 2685/4885
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 TRPA1 2253/4885BACE1 2671/4885HSPA5 4615/4885

“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.