SCHEMBL4863699

SCHEMBL4863699

CCC(O)CNc1ccc(N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.46
SIGMAR1 Q99720 3/20 0.44
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAD52 P43351 1/20 0.40
AR P10275 3/20 0.39
PDE10A Q9Y233 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35

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
SCHEMBL15201857 0.88 VDR (0.43) VDRSIGMAR1LMNACYP1A2MAPT
SCHEMBL3863528 0.87 VDR (0.47) VDRSIGMAR1LMNACYP1A2MAPT
Hydrochloric Acid SCHEMBL3860889 0.86 VDR (0.46) VDRSIGMAR1LMNACYP1A2MAPT
SCHEMBL4853206 0.83 SIGMAR1 (0.46) VDRSIGMAR1LMNACYP1A2MAPT
SCHEMBL4956493 0.83 MAPT (0.49) VDRSIGMAR1LMNACYP1A2MAPT
SCHEMBL16715418 0.82 ADRB2 (0.43) VDRSIGMAR1LMNACYP1A2MAPT
SCHEMBL2722708 0.77 ALDH1A1 (0.48) VDRSIGMAR1LMNACYP1A2MAPT
SCHEMBL17950823 0.76 LMNA (0.60) VDRLMNAMAPTADRB2ADRB1
SCHEMBL6546505 0.76 MAPT (0.42) VDRSIGMAR1LMNACYP1A2MAPT
SCHEMBL16715420 0.76 CASR (0.47) LMNACYP1A2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US claimed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 EP claimed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR VDR 1531/4885SIGMAR1 3847/4885LMNA 906/4885

“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.