SCHEMBL6740217

SCHEMBL6740217

COc1c(N(CCO)Cc2cc(N)ccc2N)ccc(N)c1CCO

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.32
ACHE P22303 1/20 0.31
CYP19A1 P11511 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6940377 0.93 PRKCI (0.32) PRKCIACHECYP19A1GAAMAPT
SCHEMBL6740448 0.84 PRKCI (0.33) PRKCIACHE
SCHEMBL6940259 0.84 PRKCI (0.34) PRKCIACHE
SCHEMBL6738491 0.81 PRKCI (0.31) PRKCIACHE
SCHEMBL6945325 0.80 PRKCI (0.36) PRKCIACHE
SCHEMBL6742840 0.79 PRKCI (0.31) PRKCIACHE
SCHEMBL7494519 0.69 TDP1 (0.38) PRKCIACHEGAAMAPTTSHR
SCHEMBL6272154 0.69 PRKCI (0.47) PRKCIACHEMAPTTSHRMAPK1
SCHEMBL14831731 0.68 MAPT (0.47) CYP19A1GAAMAPTTSHRMAPK1
SCHEMBL7891011 0.68 CYP19A1 (0.44) CYP19A1GAAMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US claimed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US claimed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP claimed

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-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO PRKCI 2922/4885ACHE 2422/4885CYP19A1 309/4885

“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.