SCHEMBL1638868

SCHEMBL1638868

COc1ccccc1-c1cccc(C=Cc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.59
TRPA1 O75762 1/20 0.54
BCHE P06276 3/20 0.48
KDM4E B2RXH2 2/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
CYP19A1 P11511 1/20 0.46
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
FYN P06241 1/20 0.44
LCK P06239 1/20 0.43
MAOB P27338 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
SCHEMBL1759239 0.86 NFE2L2 (0.49) NFE2L2TRPA1BCHEKDM4EPTGER4
SCHEMBL1759270 0.83 KDM4E (0.48) NFE2L2TRPA1BCHEKDM4EPTGER4
SCHEMBL8406052 0.82 LCK (0.48) NFE2L2TRPA1KDM4EPTGER4PTGER3
SCHEMBL8406054 0.82 LCK (0.48) NFE2L2TRPA1KDM4EPTGER4PTGER3
SCHEMBL1759117 0.80 NFE2L2 (0.51) NFE2L2TRPA1BCHEKDM4EPTGER4
SCHEMBL1758969 0.79 NFE2L2 (0.44) NFE2L2TRPA1BCHEKDM4EPTGER4
SCHEMBL8797212 0.79 CCNB2 (0.53) NFE2L2TRPA1PTGER4PTGER3PTGER2
SCHEMBL1897191 0.79 MGAM (0.45) NFE2L2BCHEKDM4EPTGER4PTGER3
SCHEMBL8406768 0.78 PTGER4 (0.56) NFE2L2TRPA1PTGER4PTGER3PTGER2
SCHEMBL8409750 0.78 PTGER4 (0.56) NFE2L2TRPA1PTGER4PTGER3PTGER2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541521-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493933-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056424-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098427-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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-20110098427-A1 Catalyst Compounds And Use Thereof THEM6, OPRM1, NOTUM NFE2L2 26/4885TRPA1 426/4885BCHE 3273/4885

“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.