SCHEMBL18178614

SCHEMBL18178614

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 10/20 0.35
GUCY1A2 P33402 10/20 0.35
GUCY1A1 Q02108 10/20 0.35
GUCY1B1 Q02153 10/20 0.35
MRGPRX4 Q96LA9 3/20 0.34
ACLY P53396 1/20 0.34
ACHE P22303 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL18178604 0.94 MRGPRX4 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178779 0.93 ACHE (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178600 0.91 MRGPRX4 (0.34) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178208 0.90 GUCY1B2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178596 0.89 MRGPRX4 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178599 0.89 SLC22A12 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178552 0.89 MRGPRX4 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178592 0.89 MRGPRX4 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4
SCHEMBL18178668 0.89 MRGPRX4 (0.36) MRGPRX4ACHEKMT2AALDH1A1KDM4E
SCHEMBL18178606 0.89 PTGS1 (0.36) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MRGPRX4

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 GUCY1B2 3488/4885GUCY1A2 3249/4885GUCY1A1 3519/4885

“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.