SCHEMBL18178150

SCHEMBL18178150

COC(=O)Oc1cccc(F)c1COc1cc(F)c(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.40
MRGPRX4 Q96LA9 3/20 0.37
GUCY1B2 O75343 6/20 0.37
GUCY1A2 P33402 6/20 0.37
GUCY1A1 Q02108 6/20 0.37
GUCY1B1 Q02153 6/20 0.37
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GCK P35557 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
SCHEMBL18156224 0.95 PTGER1 (0.40) PTGER1MRGPRX4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178363 0.94 PTGER1 (0.40) PTGER1MRGPRX4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178151 0.93 MRGPRX4 (0.37) PTGER1MRGPRX4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178153 0.93 SLC22A12 (0.39) PTGER1MRGPRX4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178152 0.90 PTGER1 (0.38) PTGER1MRGPRX4MAPK14
SCHEMBL18178170 0.90 MRGPRX4 (0.35) PTGER1MRGPRX4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178164 0.90 MAPT (0.36) PTGER1MRGPRX4MAPK14KDM4EHPGD
SCHEMBL18178181 0.90 PTGER1 (0.36) PTGER1MRGPRX4MAPK14KDM4EHPGD
SCHEMBL18178262 0.90 SGMS2 (0.39) PTGER1KDM4E
SCHEMBL18178118 0.90 MRGPRX4 (0.42) PTGER1MRGPRX4GUCY1B2GUCY1A2GUCY1A1

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 PTGER1 4234/4885MRGPRX4 167/4885GUCY1B2 3488/4885

“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.