SCHEMBL3243887

SCHEMBL3243887

Nc1ccccc1C(CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
TRPA1 O75762 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32

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
SCHEMBL3940100 0.82 CYP3A4 (0.41) ALDH1A1CYP3A4MAPTKDM4ECYP1A2
SCHEMBL2443508 0.81 CYP3A4 (0.36) ALDH1A1CYP3A4MAPTKDM4ECYP1A2
SCHEMBL3968351 0.81 CYP3A4 (0.36) ALDH1A1CYP3A4MAPTKDM4ECYP1A2
SCHEMBL11202355 0.81 ALOX15 (0.36) ALDH1A1CYP3A4MAPTKDM4ECYP1A2
SCHEMBL12838358 0.80 KYNU (0.43)
SCHEMBL3116094 0.79 TRPA1 (0.43) ALDH1A1CYP3A4MAPTKDM4ECYP1A2
SCHEMBL28122680 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL21786233 0.76 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL27861224 0.75 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL25518708 0.75 CYP1A2 (0.44) ALDH1A1CYP3A4KDM4ECYP1A2CYP2C9

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-3346975-B1 PROCESS FOR SEMIPERMANENT STRAIGHTENING AND DYEING HAIR KAO GERMANY GMBH (DE) 2020-05-20 EP disclosed
US-20180333342-A1 PROCESS FOR SEMIPERMANENT STRAIGHTENING AND DYEING HAIR KAO GERMANY GMBH (DE) 2018-11-22 US disclosed
EP-3346975-A1 PROCESS FOR SEMIPERMANENT STRAIGHTENING AND DYEING HAIR Kao Germany GmbH (DE) 2018-07-18 EP disclosed
WO-2017041904-A1 PROCESS FOR SEMIPERMANENT STRAIGHTENING AND DYEING HAIR KAO GERMANY GMBH (DE) 2017-03-16 WO disclosed
US-7744656-B2 Colouring composition KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2010-06-29 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-20180333342-A1 PROCESS FOR SEMIPERMANENT STRAIGHTENING AND DYEING HAIR COXFA4, ALDH5A1, COX5B ALDH1A1 151/4885CYP3A4 289/4885MAPT 902/4885

“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.