SCHEMBL4159062

SCHEMBL4159062

COc1cccc(/C=C/c2ccccc2)c1-c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.59
TRPA1 O75762 1/20 0.59
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 2/20 0.49
CYP1A1 P04798 5/20 0.46
CYP1A2 P05177 5/20 0.46
CYP1B1 Q16678 5/20 0.46
FYN P06241 1/20 0.44
CYP19A1 P11511 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4159067 1.00 NFE2L2 (0.59) NFE2L2TRPA1MAPTKDM4ERAB9A
SCHEMBL4165023 0.85 KDM4E (0.46) NFE2L2TRPA1MAPTKDM4ERAB9A
SCHEMBL4165025 0.85 KDM4E (0.46) NFE2L2TRPA1MAPTKDM4ERAB9A
SCHEMBL4155639 0.81 L3MBTL1 (0.41) NFE2L2TRPA1MAPTKDM4ERAB9A
SCHEMBL4155634 0.81 L3MBTL1 (0.41) NFE2L2TRPA1MAPTKDM4ERAB9A
SCHEMBL4152114 0.81 KDM4E (0.48) NFE2L2MAPTKDM4ERAB9ANPC1
SCHEMBL28565356 0.80 KDM1A (0.48) NFE2L2TRPA1MAPTKDM4ERAB9A
SCHEMBL5462166 0.79 SMN1; SMN2 (0.55) MAPTKDM4ERAB9ANPC1GAA
SCHEMBL713258 0.76 NFE2L2 (1.00) NFE2L2TRPA1MAPTKDM4ERAB9A
SCHEMBL713256 0.76 NFE2L2 (1.00) NFE2L2TRPA1MAPTKDM4ERAB9A

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 6 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-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
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
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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 267/4885MAPT 2834/4885

“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.