SCHEMBL1641975

SCHEMBL1641975

C=C(c1ccccc1)c1cccc(-c2cccc(-c3ccccc3)c2OCc2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.47
HSD17B14 Q9BPX1 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NR4A2 P43354 1/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAOB P27338 1/20 0.35
MCL1 Q07820 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL12766848 0.89 PTGER1 (0.47) PTGER1HSD17B14NR4A2KMT2AKDM4E
SCHEMBL1643444 0.89 PTGER1 (0.47) PTGER1HSD17B14NR4A2KMT2AKDM4E
SCHEMBL1643430 0.77 FEN1 (0.43) PTGER1HSD17B14RXRARXRBRXRG
SCHEMBL1641585 0.76 PTGER1 (0.40) PTGER1RXRARXRBRXRGKMT2A
SCHEMBL1899002 0.75 PTGER1 (0.39) PTGER1RXRARXRBRXRGKMT2A
SCHEMBL1641656 0.68 PTGER1 (0.42) PTGER1KMT2ALMNAMAPK1TDP1
SCHEMBL1636903 0.68 GRM5 (0.40) PTGER1NR4A2KDM4ETSHRL3MBTL1
SCHEMBL1637564 0.67 ADORA3 (0.44) PTGER1RXRARXRBRXRGKDM4E
SCHEMBL1642995 0.67 KMT2A (0.42) PTGER1KMT2AKDM4ELMNATSHR
SCHEMBL30835098 0.66 HTT (0.55) PTGER1KMT2AKDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546501-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-8546501-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-8546501-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
EP-2493935-A2 CATALYST COMPOUNDS AND USE THEREOF Exxonmobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056431-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
WO-2011056431-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098430-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098430-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098430-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-20110098430-A1 Catalyst Compounds and Use Thereof OXER1, ALOX12, NOTUM PTGER1 1614/4885HSD17B14 2417/4885RXRA 1808/4885

“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.