SCHEMBL13639118

SCHEMBL13639118

Bc1ccc(OC)c(C=C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.42
CYP1B1 Q16678 8/20 0.42
CYP1A2 P05177 6/20 0.42
NFE2L2 Q16236 5/20 0.42
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
ACHE P22303 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL14733962 0.80 STING1 (0.37) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL12801867 0.80 ALDH1A1 (0.55) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL12369333 0.79 MAPT (0.34) CYP1A2ALDH1A1
SCHEMBL26185782 0.78 TRPA1 (0.58) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL1792533 0.78 CYP1A1 (0.61) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL4211349 0.78 ACHE (0.56) CYP1A1CYP1B1CYP1A2NFE2L2ALDH1A1
SCHEMBL129594 0.76 AMY1A (0.51) CYP1A2ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL16957006 0.76 KDM4E (0.48) ALDH1A1MEN1KMT2ATSHR
SCHEMBL2669476 0.76 NFE2L2 (0.47) CYP1A1CYP1B1CYP1A2NFE2L2CYP19A1
SCHEMBL14609038 0.76 CYP19A1 (0.47) CYP19A1ALDH1A1TRPA1PPARGPPARD

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-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 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-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 CYP1A1 459/4885CYP1B1 633/4885CYP1A2 340/4885

“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.