SCHEMBL13409305

SCHEMBL13409305

CCOc1ccc2c(OC(C)C)nccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
TRPA1 O75762 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
TERT O14746 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
GRM4 Q14833 3/20 0.37
SCN9A Q15858 1/20 0.37
NQO1 P15559 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL13409324 0.88 TRPA1 (0.45) TRPA1LMNAIRAK4GRM4ALDH1A1
SCHEMBL13385161 0.85 TRPA1 (0.56) AKR1C3AKR1C2TRPA1ABCB11MAPT
SCHEMBL13757510 0.85 GRM4 (0.46) TRPA1IRAK4GRM4
SCHEMBL13757513 0.83 CYP17A1 (0.51) TRPA1IRAK4GRM4SCN9AALDH1A1
SCHEMBL8934177 0.83 TRPA1 (0.50) AKR1C3AKR1C2TRPA1CYP19A1CYP11B1
SCHEMBL13757512 0.82 MAOA (0.46) ABCB11LMNAGRM4ALDH1A1KDM4E
SCHEMBL13757491 0.82 ROCK1 (0.51) TRPA1IRAK4
SCHEMBL15483505 0.79 TRPA1 (0.41) AKR1C3AKR1C2TRPA1CYP19A1CYP11B1
SCHEMBL13443769 0.79 TRPA1 (0.49) TRPA1IRAK4GRM4
SCHEMBL13409306 0.78 LRRK2 (0.42) TRPA1LMNAIRAK4GRM4ALDH1A1

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-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 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-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AKR1C3 4082/4885AKR1C2 4102/4885TRPA1 4344/4885

“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.