SCHEMBL18178552

SCHEMBL18178552

CCC(=O)Oc1cccc(CO)c1COc1cc(F)c(C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.39
ACHE P22303 1/20 0.36
GUCY1B2 O75343 10/20 0.35
GUCY1A2 P33402 10/20 0.35
GUCY1A1 Q02108 10/20 0.35
GUCY1B1 Q02153 10/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ACLY P53396 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL18178743 0.94 MRGPRX4 (0.37) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178592 0.93 MRGPRX4 (0.41) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178545 0.93 MRGPRX4 (0.40) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178584 0.92 MRGPRX4 (0.36) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178573 0.90 CD274 (0.36) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178561 0.90 MRGPRX4 (0.37) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178645 0.90 MRGPRX4 (0.37) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178549 0.90 MRGPRX4 (0.38) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178614 0.89 GUCY1B2 (0.35) MRGPRX4ACHEGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178131 0.89 MRGPRX4 (0.39) 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 MRGPRX4 167/4885ACHE 460/4885GUCY1B2 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.