SCHEMBL4158263

SCHEMBL4158263

COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.56
CYP1A2 P05177 6/20 0.56
CYP1B1 Q16678 6/20 0.56
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
AHR P35869 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AOC3 Q16853 1/20 0.41
SLC6A4 P31645 1/20 0.40
PTGIR P43119 1/20 0.40
GSK3B P49841 1/20 0.39

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
SCHEMBL812742 0.85 CA1 (0.58) MAPTALDH1A1AHRCA12CA1
SCHEMBL11986269 0.83 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL1145983 0.83 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL8800598 0.82 CYP1A2 (0.54) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL27778545 0.81 CYP1A1 (0.72) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
Hydrogen Sulfide SCHEMBL17008164 0.81 CYP1A1 (0.72) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL21709927 0.81 CYP1A1 (0.56) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL21709946 0.81 CYP1A1 (0.56) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL4149184 0.81 CYP1A1 (0.56) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL21880552 0.79 ESR2 (0.58) MAPTALDH1A1AHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 US disclosed
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 US disclosed
US-20090182135-A1 Amino modifiers OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-07-16 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-20090182135-A1 Amino modifiers BCAT2, AADAT, BCAT1 CYP1A1 155/4885CYP1A2 299/4885CYP1B1 257/4885

“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.