SCHEMBL1639353

SCHEMBL1639353

C=C(c1ccccc1OC)c1cccc(-c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
MGAM O43451 3/20 0.47
GAA P10253 3/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 8/20 0.45
PTGER1 P34995 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ERN1 O75460 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL1643985 0.91 NR1H4 (0.47) SCN9AMGAMGAASIMGAM2
SCHEMBL1639151 0.88 PTGER1 (0.49) SCN9AMGAMGAASIMGAM2
SCHEMBL1637711 0.87 PTGER1 (0.48) SCN9AMGAMGAASIMGAM2
SCHEMBL12726013 0.86 SCN9A (0.52) SCN9AMGAMGAASIMGAM2
SCHEMBL12726014 0.86 PTGER1 (0.43) SCN9AMGAMGAASIMGAM2
SCHEMBL12646971 0.84 SMN1; SMN2 (0.42) SCN9AKDM4EL3MBTL1NPC1ADRA1D
SCHEMBL1638866 0.84 PTGER1 (0.46) SCN9AMGAMGAASIMGAM2
SCHEMBL12725985 0.83 BCHE (0.57) SCN9AMGAMGAASIMGAM2
SCHEMBL27864148 0.82 MAOB (0.49) MGAMGAASIMGAM2KDM4E
SCHEMBL1639242 0.81 PTGER1 (0.44) SCN9AMGAMGAASIMGAM2

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 SCN9A 4826/4885MGAM 570/4885GAA 4058/4885

“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.