SCHEMBL4155690

SCHEMBL4155690

C(=Cc1cccc(C=Cc2ccccc2)c1-n1cccn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.42
TRPA1 O75762 2/20 0.42
MAPK1 P28482 2/20 0.40
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
CYP24A1 Q07973 2/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DHFR P00374 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4155688 1.00 NFE2L2 (0.42) NFE2L2TRPA1MAPK1ATP4AATP4B
SCHEMBL4163353 0.83 MAPK1 (0.47) NFE2L2TRPA1MAPK1ATP4AATP4B
SCHEMBL4163348 0.83 MAPK1 (0.47) NFE2L2TRPA1MAPK1ATP4AATP4B
SCHEMBL285349 0.72 NR1H2 (0.42) NFE2L2TRPA1ATP4AATP4BKDM4E
SCHEMBL7098110 0.71 NFE2L2 (0.37) NFE2L2TRPA1ATP4AATP4BKDM4E
SCHEMBL10653293 0.71 KDM4E (0.72) MAPK1KDM4EALDH1A1NPC1MEN1
SCHEMBL11410050 0.71 KDM4E (0.72) MAPK1KDM4EALDH1A1NPC1MEN1
SCHEMBL44502 0.69 NFE2L2 (0.68) NFE2L2TRPA1CYP11B1CYP11B2MEN1
SCHEMBL44503 0.69 NFE2L2 (0.68) NFE2L2TRPA1CYP11B1CYP11B2MEN1
SCHEMBL6360540 0.69 NFE2L2 (0.68) NFE2L2TRPA1CYP11B1CYP11B2MEN1

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-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT NFE2L2 15/4885TRPA1 267/4885MAPK1 1786/4885

“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.