SCHEMBL12972118

SCHEMBL12972118

CCc1cccc(CNCCN)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.54
▸ MC5R P33032 2/20 0.54
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MC3R P41968 1/20 0.47
▸ CHRM2 P08172 3/20 0.47
▸ KIF11 P52732 2/20 0.45
▸ CXCR4 P61073 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ VSIR Q9H7M9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SCN8A Q9UQD0 2/20 0.40

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
SCHEMBL18575582 0.90 MC4R (0.63) MC4RMC5RCYP1A2CYP2D6CYP2C19
SCHEMBL29306550 0.86 MC4R (0.51) MC4RMC5RCYP1A2CYP2D6CYP2C19
SCHEMBL30219100 0.85 MC4R (0.58) MC4RMC5RCYP1A2CYP2D6CYP2C19
SCHEMBL14345649 0.85 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C19CHRM2KIF11
SCHEMBL20428086 0.84 CYP1A2 (0.69) CYP1A2CYP2D6CYP2C19CHRM2CXCR4
SCHEMBL12794776 0.83 MC4R (0.56) MC4RMC5RMC3RCHRM2CXCR4
SCHEMBL16151774 0.82 MC4R (0.66) MC4RMC5RCYP1A2CYP2D6CYP2C19
SCHEMBL4919902 0.81 TAAR1 (0.58) MC4RMC5RCYP1A2CYP2D6CYP2C19
SCHEMBL14294259 0.81 PDCD1 (0.50) CYP1A2CYP2D6CYP2C19CHRM2VSIR
SCHEMBL13253641 0.81 MEN1 (0.47) CYP1A2CYP2D6CYP2C19CHRM2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100303748-A1 METHOD FOR LIGHTENING AND/OR COLORING HUMAN KERATIN FIBERS USING A COMPOSITION COMPRISING AN AMINOTRIALKOXY SILANE OR AMINOTRIALKENYLOXY SILANE COMPOUND AND DEVICE L'OREAL S.A. (FR) 2010-12-02 — — US disclosed
US-20100303748-A1 METHOD FOR LIGHTENING AND/OR COLORING HUMAN KERATIN FIBERS USING A COMPOSITION COMPRISING AN AMINOTRIALKOXY SILANE OR AMINOTRIALKENYLOXY SILANE COMPOUND AND DEVICE L'OREAL S.A. (FR) 2010-12-02 — — 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-20100303748-A1 METHOD FOR LIGHTENING AND/OR COLORING HUMAN KERATIN FIBERS USING A COMPOSITION COMPRISING AN AMINOTRIALKOXY SILANE OR AMINOTRIALKENYLOXY SILANE COMPOUND AND DEVICE KRT18, FABP4, APMAP MC4R 4447/4885MC5R 3803/4885CYP1A2 2646/4885

“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.

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