SCHEMBL18178561

SCHEMBL18178561

CCC(=O)Oc1cccc(CO)c1COc1cc(F)c(C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.37
RAB9A P51151 1/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CD274 Q9NZQ7 2/20 0.33
MAPT P10636 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
SCHEMBL18178565 0.94 MRGPRX4 (0.40) MRGPRX4KDM4EGAAACHEPTGDR2
SCHEMBL18178726 0.91 MRGPRX4 (0.38) MRGPRX4RAB9AKDM4EGAAACHE
SCHEMBL18178558 0.91 MRGPRX4 (0.37) MRGPRX4KDM4EGAAACHEPTGDR2
SCHEMBL18178592 0.90 MRGPRX4 (0.41) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178552 0.90 MRGPRX4 (0.39) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178691 0.90 MRGPRX4 (0.40) MRGPRX4KDM4EGAAACHEPTGDR2
SCHEMBL18178139 0.90 MRGPRX4 (0.38) MRGPRX4RAB9AGUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178584 0.89 MRGPRX4 (0.36) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178554 0.89 SLC22A12 (0.39) MRGPRX4RAB9AKDM4EGAAACHE
SCHEMBL18178551 0.89 ALDH1A1 (0.39) MRGPRX4RAB9AGUCY1B2GUCY1A2GUCY1A1

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 167/4885RAB9A 1136/4885GUCY1B2 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.