SCHEMBL3662379

SCHEMBL3662379

COc1ccc(/C(=C/c2ccccc2Cl)CCl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.46
CPS1 P31327 9/20 0.42
NFE2L2 Q16236 4/20 0.42
RELA Q04206 1/20 0.42
MAOB P27338 2/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL3776840 1.00 ABCG2 (0.46) ABCG2CPS1NFE2L2RELAMAOB
SCHEMBL3660866 0.88 CPS1 (0.39) ABCG2CPS1NFE2L2RELAMAOB
SCHEMBL3771354 0.88 CPS1 (0.39) ABCG2CPS1NFE2L2RELAMAOB
SCHEMBL3662395 0.83 NFE2L2 (0.38) NFE2L2MAPT
SCHEMBL3769989 0.83 ALDH1A1 (0.37) ABCG2NFE2L2ALDH1A1
SCHEMBL3776287 0.83 NFE2L2 (0.38) NFE2L2MAPT
SCHEMBL1023309 0.83 ALDH1A1 (0.37) ABCG2NFE2L2ALDH1A1
SCHEMBL3662315 0.80 ABCG2 (0.44) ABCG2NFE2L2RELAMAPT
SCHEMBL3662316 0.80 ABCG2 (0.44) ABCG2NFE2L2RELAMAPT
SCHEMBL3769358 0.80 TRPA1 (0.39) ABCG2RELAKDM4EALDH1A1MAPT

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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 ABCG2 2920/4885CPS1 221/4885NFE2L2 825/4885

“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.