SCHEMBL1638866

SCHEMBL1638866

C=C(c1ccccc1)c1cccc(-c2ccccc2OC)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
BCHE P06276 5/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXRA P19793 1/20 0.42
SCN9A Q15858 1/20 0.42
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41

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
SCHEMBL1637711 0.86 PTGER1 (0.48) PTGER1MRGPRX4L3MBTL1RXRASCN9A
SCHEMBL12646930 0.84 MAPT (0.43) KDM4EL3MBTL1NPC1SCN9AMAPT
SCHEMBL1639353 0.84 SCN9A (0.47) PTGER1BCHEKDM4EL3MBTL1NPC1
SCHEMBL1639151 0.80 PTGER1 (0.49) PTGER1MRGPRX4BCHEKDM4EL3MBTL1
SCHEMBL1638928 0.80 PTGER1 (0.44) PTGER1MRGPRX4RXRASCN9AMGAM
SCHEMBL1643985 0.79 NR1H4 (0.47) PTGER1BCHEKDM4EL3MBTL1NPC1
SCHEMBL27864148 0.79 MAOB (0.49) PTGER1MRGPRX4KDM4EL3MBTL1NPC1
SCHEMBL1636903 0.79 GRM5 (0.40) PTGER1KDM4EL3MBTL1
SCHEMBL1638070 0.76 BCHE (0.50) BCHEKDM4EL3MBTL1MEN1KMT2A
SCHEMBL1639242 0.75 PTGER1 (0.44) PTGER1MRGPRX4BCHERXRASCN9A

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-8541521-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
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
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 PTGER1 1503/4885MRGPRX4 3453/4885BCHE 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.