SCHEMBL6137031

SCHEMBL6137031

Nc1ccc(O)c(-c2sccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PDE10A Q9Y233 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 6/20 0.38
ALOX15 P16050 5/20 0.38
CASP1 P29466 4/20 0.38
THRB P10828 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
CASP7 P55210 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
APP P05067 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5704963 0.88 CA1 (0.47) CA1CA2PDE10AESR1ESR2
SCHEMBL7800830 0.82 CYP3A4 (0.39) CA1CA2ESR1ESR2HSD17B10
Hydrochloric Acid SCHEMBL7807393 0.81 CYP3A4 (0.38) CA1CA2ESR1ESR2HSD17B10
SCHEMBL6136935 0.79 PDE10A (0.55) CA1CA2PDE10AHSD17B10ALOX15
SCHEMBL6875840 0.79 CYP3A4 (0.39) CA1CA2ESR1ESR2HSD17B10
SCHEMBL6288457 0.77 CA1 (0.47) CA1CA2PDE10AESR1ESR2
Hydrochloric Acid SCHEMBL6291518 0.76 CA1 (0.46) CA1CA2PDE10AESR1ESR2
SCHEMBL6136919 0.76 ERN1 (0.38) CA1CA2PDE10AHSD17B10ALOX15
SCHEMBL6136914 0.74 ALDH1A1 (0.41) CA1CA2PDE10AESR2HSD17B10
SCHEMBL6136848 0.73 ALOX15 (0.57) CA1CA2PDE10AHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153917-B1 p-Aminophenol derivatives and colorants containing them WELLA AG (DE) 2005-04-13 EP claimed
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US claimed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US claimed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP claimed
EP-1153917-B1 p-Aminophenol derivatives and colorants containing them WELLA AG (DE) 2005-04-13 EP disclosed
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US disclosed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US disclosed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP 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-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P CA1 3488/4885CA2 3119/4885PDE10A 3344/4885

“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.