SCHEMBL5158750

SCHEMBL5158750

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 7/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CA2 P00918 2/20 0.39
TYR P14679 1/20 0.39
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HIF1A Q16665 3/20 0.32

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 SCHEMBL5424687 0.98 POLB (0.54) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL2154134 0.85 POLB (0.40) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL16022232 0.83 ALDH1A1 (0.52) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL10342450 0.81 POLB (0.70) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL23328070 0.77 POLB (0.46) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL9399667 0.77 POLB (0.46) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL8339737 0.77 CYP2C9 (0.63) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL1930777 0.77 ALDH1A1 (0.56) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL7795745 0.76 POLB (0.50) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL33589 0.76 ALDH1A1 (0.65) POLBALDH1A1TSHRTP53CYP3A4

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 11 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-4973660-A Polyamide of diamino-t-butyltoluene AMOCO CORPORATION (US) 1990-11-27 US claimed
US-4963648-A SOLVENT-SOLUBLILITY; HEAT RESISTANCE; FILMS, FIBERS, COMPOSITES; ELECTRICAL APPARATUS; AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-10-16 US 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
US-4973660-A Polyamide of diamino-t-butyltoluene AMOCO CORPORATION (US) 1990-11-27 US disclosed
US-4963648-A SOLVENT-SOLUBLILITY; HEAT RESISTANCE; FILMS, FIBERS, COMPOSITES; ELECTRICAL APPARATUS; AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-10-16 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 POLB 580/4885ALDH1A1 159/4885TSHR 4704/4885

“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.