SCHEMBL5158728

SCHEMBL5158728

CCc1cc(N)cc(C(C)CC)c1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.33
RORC P51449 1/20 0.33
MAPT P10636 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL5161230 0.84 HTT (0.38) ELANEHTTPOLBALDH1A1ALOX15
SCHEMBL11159444 0.83 HTT (0.35) ELANEHTTPOLBTSHRALDH1A1
SCHEMBL3471927 0.81 POLB (0.34) HTTPOLBTSHRALDH1A1USP2
SCHEMBL9681459 0.80 POLB (0.37) HTTPOLBTSHRALDH1A1USP2
SCHEMBL9682126 0.80 AR (0.36) HTTPOLBTSHRALDH1A1USP2
SCHEMBL10661127 0.77 POLB (0.37) HTTPOLBTSHRALDH1A1USP2
SCHEMBL33574 0.76 HTT (0.54) ELANEHTTPOLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL6742521 0.74 HTT (0.52) ELANEHTTPOLBTSHRALDH1A1
SCHEMBL11161854 0.74 ALDH1A1 (0.44) HTTPOLBTSHRALDH1A1USP2
SCHEMBL398716 0.73 TSHR (0.47) ELANEHTTTSHRALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP claimed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 ELANE 3048/4885HTT 4243/4885POLB 580/4885

“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.