SCHEMBL18178782

SCHEMBL18178782

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.36
ACHE P22303 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34
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
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL18178603 0.93 MRGPRX4 (0.37) MRGPRX4ACHEFFAR4FFAR1KCNK3
SCHEMBL18182631 0.93 MRGPRX4 (0.36) MRGPRX4ACHEFFAR4FFAR1RXRA
SCHEMBL18178708 0.92 MRGPRX4 (0.38) MRGPRX4KCNK3KCNK9
SCHEMBL18178786 0.90 SLC22A12 (0.39) MRGPRX4ACHEFFAR4FFAR1RXRA
SCHEMBL18178409 0.89 MRGPRX4 (0.39) MRGPRX4FFAR4FFAR1RXRARXRB
SCHEMBL18156130 0.88 MRGPRX4 (0.36) MRGPRX4FFAR4FFAR1RXRARXRB
SCHEMBL18178511 0.88 MRGPRX4 (0.40) MRGPRX4FFAR4FFAR1RXRARXRB
SCHEMBL18178790 0.88 FFAR1 (0.39) MRGPRX4ACHEFFAR4FFAR1RXRA
SCHEMBL18178784 0.88 MRGPRX4 (0.39) MRGPRX4
SCHEMBL18178794 0.88 KCNK3 (0.40) MRGPRX4ACHEFFAR4FFAR1RXRA

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 460/4885FFAR4 2485/4885

“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.