SCHEMBL4953003

SCHEMBL4953003

CCOn1ccc2cccc(N)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
KEAP1 Q14145 1/20 0.32
PIK3CA P42336 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL4948527 0.81 ALDH1A1 (0.34) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL4954091 0.81 HEXA (0.32)
SCHEMBL4955620 0.80 IDO1 (0.36) ALDH1A1TSHRMAPT
SCHEMBL4956927 0.79 CA12 (0.38) ALDH1A1HSD17B10CYP3A4HPGDHTR2A
SCHEMBL4953493 0.76 MEN1 (0.32) ALDH1A1HSD17B10HPGDKEAP1MAPT
SCHEMBL24130695 0.74 CYP19A1 (0.39) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL4952567 0.74 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL4956030 0.74 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL4954035 0.72 ALDH1A1 (0.34) ALDH1A1HSD17B10CYP3A4TSHRHPGD
SCHEMBL4953371 0.71 HTR2A (0.34) ALDH1A1HSD17B10CYP3A4TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C ALDH1A1 510/4885HSD17B10 587/4885CYP3A4 372/4885

“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.