SCHEMBL18178573

SCHEMBL18178573

CCC(=O)Oc1cccc(CO)c1COc1cc(F)c(C)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.36
PDCD1 Q15116 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
GUCY1B2 O75343 5/20 0.34
GUCY1A2 P33402 5/20 0.34
GUCY1A1 Q02108 5/20 0.34
GUCY1B1 Q02153 5/20 0.34
ACHE P22303 1/20 0.34
PTGER1 P34995 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACLY P53396 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL18178572 0.94 MRGPRX4 (0.36) CD274PDCD1MRGPRX4GUCY1B2GUCY1A2
SCHEMBL18178744 0.91 CD274 (0.38) CD274PDCD1ACHEFFAR4KDM4E
SCHEMBL18178571 0.91 MRGPRX4 (0.34) CD274PDCD1MRGPRX4GUCY1B2GUCY1A2
SCHEMBL18178552 0.90 MRGPRX4 (0.39) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178592 0.90 MRGPRX4 (0.41) CD274MRGPRX4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178197 0.90 CD274 (0.37) CD274PDCD1MRGPRX4GUCY1B2GUCY1A2
SCHEMBL18178584 0.89 MRGPRX4 (0.36) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178562 0.89 MRGPRX4 (0.37) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178564 0.89 SLC22A12 (0.39) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178566 0.89 PTGER1 (0.38) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 CD274 3579/4885PDCD1 2625/4885MRGPRX4 167/4885

“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.