SCHEMBL18178602

SCHEMBL18178602

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.39
SLC22A12 Q96S37 1/20 0.37
ACHE P22303 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GUCY1B2 O75343 2/20 0.34
GUCY1A2 P33402 2/20 0.34
GUCY1A1 Q02108 2/20 0.34
GUCY1B1 Q02153 2/20 0.34
PPARD Q03181 1/20 0.34
PTGER1 P34995 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACLY P53396 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 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
SCHEMBL18178616 0.94 MRGPRX4 (0.39) MRGPRX4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178786 0.92 SLC22A12 (0.39) MRGPRX4SLC22A12ACHEFFAR1FFAR4
SCHEMBL18178605 0.92 KCNK3 (0.39) MRGPRX4ACHEFFAR1FFAR4GUCY1B2
SCHEMBL18178609 0.92 MRGPRX4 (0.39) MRGPRX4ACHEFFAR1FFAR4GUCY1B2
SCHEMBL18182437 0.92 MRGPRX4 (0.38) MRGPRX4SLC22A12ACHEFFAR1FFAR4
SCHEMBL18178601 0.91 MRGPRX4 (0.37) MRGPRX4ACHEFFAR1FFAR4GUCY1B2
SCHEMBL18178615 0.91 MAPT (0.38) MRGPRX4
SCHEMBL18178603 0.91 MRGPRX4 (0.37) MRGPRX4ACHEFFAR1FFAR4GUCY1B2
SCHEMBL18178611 0.90 MRGPRX4 (0.37) MRGPRX4ACHEFFAR1FFAR4GUCY1B2
SCHEMBL18178215 0.89 MRGPRX4 (0.39) MRGPRX4SLC22A12FFAR1FFAR4GUCY1B2

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 167/4885SLC22A12 4500/4885ACHE 460/4885

“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.