SCHEMBL6535654

SCHEMBL6535654

COc1ccc(OC(C)c2cc(N)ccc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 8/20 0.47
CYP3A4 P08684 3/20 0.47
APP P05067 2/20 0.41
NR4A1 P22736 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37

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
SCHEMBL6535756 0.91 TDP1 (0.39) TDP1MAPK1ALDH1A1CYP3A4NR4A1
SCHEMBL6535648 0.85 POLB (0.43) TDP1ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL3975247 0.84 TDP1 (0.46) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL6535758 0.82 ALDH1A1 (0.37) TDP1ALDH1A1CYP3A4SMN1; SMN2MAPT
SCHEMBL6535506 0.81 GAA (0.33) TDP1ALDH1A1MEN1THRBKMT2A
SCHEMBL3654298 0.78 CASP1 (0.37) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL6484587 0.78 ALDH1A1 (0.52) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL22283000 0.75 GAA (0.37) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL6535896 0.75 KDM4E (0.45) MAPK1ALDH1A1SMN1; SMN2MAPTMAOA
SCHEMBL3969449 0.75 ALOX5 (0.41) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2

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
EP-1359887-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2004-08-18 EP disclosed
US-6673932-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
EP-1359887-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20030131422-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2003-07-17 US disclosed
WO-2002058658-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, INC. (US) 2002-08-01 WO 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-20030131422-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, COX5A TDP1 1998/4885MAPK1 403/4885ALDH1A1 10/4885

“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.