SCHEMBL4856943

SCHEMBL4856943

Nc1c(Cl)ccc(O)c1Cl.Nc1c(Cl)ccc(O)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
MAPK1 P28482 2/20 0.59
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TSHR P16473 6/20 0.44
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35

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
SCHEMBL29356274 1.00 CYP3A4 (0.59) CYP3A4MAPK1CA1CA2TSHR
SCHEMBL110840 1.00 CYP3A4 (0.59) CYP3A4MAPK1CA1CA2TSHR
Hydrochloric Acid SCHEMBL374537 0.97 CYP3A4 (0.56) CYP3A4MAPK1CA1CA2TSHR
Hydrochloric Acid SCHEMBL30818252 0.97 CYP3A4 (0.56) CYP3A4MAPK1CA1CA2TSHR
Propane SCHEMBL10791092 0.89 MAPK1 (0.48) CYP3A4MAPK1CA1CA2TSHR
Acetic Acid SCHEMBL9775966 0.87 CYP3A4 (0.46) CYP3A4MAPK1CA1CA2TSHR
SCHEMBL10703972 0.81 CA1 (0.48) CYP3A4MAPK1CA1CA2TSHR
SCHEMBL3945285 0.80 CYP3A4 (0.39) CYP3A4MAPK1CA1CA2TSHR
SCHEMBL5009700 0.79 ALOX15 (0.46) CYP3A4MAPK1CA1CA2TSHR
SCHEMBL3919358 0.79 CYP3A4 (0.59) CYP3A4MAPK1CA1CA2TSHR

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-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 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-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 CYP3A4 532/4885MAPK1 3469/4885CA1 1051/4885

“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.