Sugi Predict

Sugi Predict / Compounds / SCHEMBL1642995

SCHEMBL1642995

SCHEMBL1642995

Fc1ccc(COc2c(Br)cccc2-c2cccc(C(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.42
▸ PTGER1 P34995 1/20 0.39
▸ MAOB P27338 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ FEN1 P39748 3/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ POLB P06746 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
SCHEMBL1641585 0.88 PTGER1 (0.40) KMT2APTGER1PTGS1PTGS2LMNA
SCHEMBL12766736 0.88 PTGER1 (0.40) KMT2APTGER1MAOBPTGS1PTGS2
SCHEMBL1643444 0.77 PTGER1 (0.47) KMT2APTGER1MAOBPTGS1PTGS2
SCHEMBL1897917 0.77 PTGER1 (0.39) KMT2APTGER1MAOBPTGS1PTGS2
SCHEMBL1643036 0.76 FEN1 (0.47) PTGER1MAOBMAPTTDP1L3MBTL1
SCHEMBL30834993 0.75 THRA (0.39) PTGER1MAOBMAPTTDP1L3MBTL1
SCHEMBL19830904 0.75 THRA (0.39) PTGER1MAOBMAPTTDP1L3MBTL1
SCHEMBL28284783 0.71 GRM5 (0.41) KMT2AMAOBLMNAMAPTMEN1
SCHEMBL13429878 0.69 MAOB (0.50) KMT2AMAOBLMNAMAPTNPSR1
SCHEMBL1641975 0.67 PTGER1 (0.47) KMT2APTGER1MAOBPTGS1PTGS2

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 8 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

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 KMT2A 3760/4885PTGER1 1614/4885MAOB 2286/4885

“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.