SCHEMBL417210

SCHEMBL417210

CCCCc1ccc(C(=O)C(=O)c2ccccc2)c(C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.42
CES1 P23141 7/20 0.42
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.40
DRD2 P14416 1/20 0.38
PPARA Q07869 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL27578934 0.80 CES2 (0.50) CES2CES1PPARA
Ammonia Solution, Strong SCHEMBL5962258 0.79 CES2 (0.49) CES2CES1PPARA
Ammonia Solution, Strong SCHEMBL22518255 0.79 CES2 (0.49) CES2CES1PPARA
Ammonia Solution, Strong SCHEMBL28814751 0.79 CES2 (0.46) CES2CES1CNR2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3176477 0.78 CES2 (0.48) CES2CES1PPARA
Hydrochloric Acid SCHEMBL27574011 0.77 CES2 (0.45) CES2CES1CNR2ALDH1A1MAPT
SCHEMBL27704454 0.77 CYP1A2 (0.53) CES1CNR2CNR1DRD2PPARA
SCHEMBL31631736 0.76 CES2 (0.53) CES2CES1PPARA
SCHEMBL31299650 0.75 CNR2 (0.46) CNR2CNR1PPARACYP1A2ALDH1A1
SCHEMBL27684778 0.75 CNR2 (0.46) CNR2CNR1PPARACYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101517008-B Polymeric hair dyes CIBA HOLDING INC 2014-03-19 CN disclosed
US-8268014-B2 Hair dyeing composition BASF SE Ludwigshafen (DE) 2012-09-18 US disclosed
US-20120017931-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-26 US disclosed
EP-2044158-B1 POLYMERIC HAIR DYES BASF SE (DE) 2011-11-23 EP disclosed
US-7731761-B2 Polymeric hair dyes CIBA CORPORATION (US) 2010-06-08 US disclosed
US-20090255063-A1 Polymeric hair dyes CIBA CORP. 2009-10-15 US disclosed
CN-101517008-A Polymeric hair dyes CIBA SC HOLDING AG (CH) 2009-08-26 CN 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 (2 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-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS CES2 679/4885CES1 2032/4885CNR2 325/4885
US-20090255063-A1 Polymeric hair dyes SCO2, CYB5R3, OR10J3 CES2 702/4885CES1 1691/4885CNR2 123/4885

“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.