SCHEMBL1636933

SCHEMBL1636933

CC(C)(C)c1cccc(C(O)(c2ccccc2)c2cccc(-c3ccccn3)c2)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.38
ACSS2 Q9NR19 2/20 0.37
GRM5 P41594 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
CETP P11597 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KAT6A Q92794 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL1636951 0.88 FFAR1 (0.43) FFAR1ACSS2GRM5HRH3CETP
SCHEMBL12646939 0.87 CYP1A2 (0.44) FFAR1ACSS2
SCHEMBL1638148 0.80 PTPN5 (0.47) FFAR1RXRARXRBRXRGPTGER1
SCHEMBL1638990 0.79 FFAR1 (0.47) FFAR1HRH3CTSLCTSBCTSS
SCHEMBL1636931 0.79 FFAR1 (0.42) FFAR1ALOX5APFEN1GRM5HRH3
SCHEMBL1636835 0.78 FFAR1 (0.41) FFAR1ALOX5APFEN1GRM5HRH3
SCHEMBL1759281 0.76 TLR4 (0.42) FFAR1ALOX5APFEN1GRM5HRH3
SCHEMBL12646897 0.76 CYP1A2 (0.44) FFAR1ACSS2
SCHEMBL1643857 0.76 MGAM (0.41) FEN1RXRARXRBRXRG
SCHEMBL1637767 0.72 PTPN5 (0.48) FFAR1RXRARXRBRXRGPTGER1

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 480/4885ALOX5AP 19/4885FEN1 1796/4885

“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.