SCHEMBL18178512

SCHEMBL18178512

CCC(=O)Oc1cccc(Cl)c1COc1ccc(C)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.43
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MAPT P10636 1/20 0.37
RORC P51449 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL18178161 0.89 MRGPRX4 (0.47) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL18178514 0.89 MRGPRX4 (0.42) MRGPRX4MAPT
SCHEMBL18182570 0.88 MRGPRX4 (0.46) MRGPRX4
SCHEMBL18178518 0.88 RXRA (0.42) MRGPRX4
SCHEMBL18178515 0.88 MRGPRX4 (0.41) MRGPRX4
SCHEMBL18178513 0.88 MRGPRX4 (0.43) MRGPRX4PTGER1LTB4RLTB4R2
SCHEMBL18178780 0.88 MRGPRX4 (0.39) MRGPRX4RORC
SCHEMBL18178671 0.87 MRGPRX4 (0.39) MRGPRX4RORC
SCHEMBL18178511 0.87 MRGPRX4 (0.40) MRGPRX4
SCHEMBL18178453 0.87 MRGPRX4 (0.52) MRGPRX4PTGER1PTGER4PTGER3PTGER2

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 4234/4885PTGER4 3370/4885

“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.