SCHEMBL18181990

SCHEMBL18181990

CCC(=O)Oc1cccc(C(F)(F)F)c1COc1cc(F)c(CC)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.39
PTGER1 P34995 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PPARD Q03181 1/20 0.34
PPARG P37231 1/20 0.34
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 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
SCHEMBL18182601 0.94 MRGPRX4 (0.38) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL18182019 0.94 MRGPRX4 (0.38) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL18182024 0.94 MRGPRX4 (0.39) MRGPRX4RXRARXRBRXRGKCNK3
SCHEMBL18182433 0.94 MRGPRX4 (0.39) MRGPRX4PTGER1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18182030 0.92 KCNK3 (0.39) MRGPRX4RXRARXRBRXRGKCNK3
SCHEMBL18182437 0.92 MRGPRX4 (0.38) MRGPRX4PTGER1FFAR1FFAR4PPARD
SCHEMBL18182003 0.92 MRGPRX4 (0.38) MRGPRX4
SCHEMBL18182435 0.92 MRGPRX4 (0.41) MRGPRX4
SCHEMBL18156437 0.92 FFAR1 (0.39) MRGPRX4PTGER1RXRARXRBRXRG
SCHEMBL18183020 0.91 MRGPRX4 (0.42) MRGPRX4PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 MRGPRX4 167/4885PTGER1 4234/4885RXRA 361/4885

“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.