SCHEMBL5160431

SCHEMBL5160431

Cc1cc(N)cc(C(C)C)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 3/20 0.33
PDE10A Q9Y233 1/20 0.33
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CASP1 P29466 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 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
Hydrochloric Acid SCHEMBL5430513 0.98 POLB (0.41) ALDH1A1TSHRTP53CYP3A4TDP1
SCHEMBL2155116 0.85 ALDH1A1 (0.38) ALDH1A1TSHRTP53CYP3A4POLB
Hydrochloric Acid SCHEMBL5431425 0.82 GAA (0.38) ALDH1A1TSHRCYP3A4POLBGAA
SCHEMBL5161510 0.82 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4TDP1
SCHEMBL27808479 0.81 KDM4E (0.42) ALDH1A1TSHRTP53CYP3A4TDP1
SCHEMBL28846206 0.81 ALDH1A1 (0.59) ALDH1A1TSHRTP53CYP3A4TDP1
SCHEMBL29321472 0.81 POLB (0.38) ALDH1A1TSHRPOLBGAAGFER
SCHEMBL24115940 0.79 GABRA1 (0.43) ALDH1A1TSHRTP53CYP3A4TDP1
Methane SCHEMBL21294036 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTP53CYP3A4TDP1
SCHEMBL21603341 0.77 ALDH1A1 (0.37) ALDH1A1TSHRTP53CYP3A4TDP1

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 ALDH1A1 159/4885TSHR 4704/4885TP53 1007/4885

“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.