SCHEMBL1636951

SCHEMBL1636951

OC(c1ccccc1)(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
GRM5 P41594 1/20 0.39
PTGER1 P34995 7/20 0.38
HRH3 Q9Y5N1 1/20 0.36
TGFBR1 P36897 1/20 0.36
CETP P11597 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
PDK2 Q15119 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
KAT6A Q92794 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL1636933 0.88 FFAR1 (0.42) FFAR1GRM5PTGER1HRH3CETP
SCHEMBL12646897 0.85 CYP1A2 (0.44) FFAR1TGFBR1ACSS2SCN5ASCN9A
SCHEMBL1637767 0.81 PTPN5 (0.48) FFAR1PTGER1
SCHEMBL1643982 0.78 MGAM (0.44) FFAR1PTGER1
SCHEMBL12726017 0.78 PTGER1 (0.38) FFAR1PTGER1PTPN1
SCHEMBL1638077 0.76 MGAM (0.44) FFAR1SCN9A
SCHEMBL12646939 0.75 CYP1A2 (0.44) FFAR1ACSS2SCN5ASCN9ACYP2C9
SCHEMBL1638148 0.73 PTPN5 (0.47) FFAR1PTGER1
SCHEMBL1643857 0.73 MGAM (0.41)
SCHEMBL12726007 0.71 BCHE (0.44) PTGER1

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-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-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-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 FFAR1 480/4885GRM5 1634/4885PTGER1 2069/4885

“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.