SCHEMBL18178085

SCHEMBL18178085

COC(=O)Oc1cccc(CS)c1COc1ccc(C)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.41
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
S1PR1 P21453 1/20 0.37
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL18178120 0.92 MRGPRX4 (0.42) MRGPRX4FFAR1FFAR4S1PR1HPGD
SCHEMBL18178084 0.91 MRGPRX4 (0.41) MRGPRX4FFAR1FFAR4S1PR1HPGD
SCHEMBL18178516 0.90 MRGPRX4 (0.39) MRGPRX4FFAR1FFAR4S1PR1HPGD
SCHEMBL18178425 0.89 MRGPRX4 (0.37) MRGPRX4FFAR1FFAR4HPGDRXRA
SCHEMBL18178086 0.87 MRGPRX4 (0.43) MRGPRX4FFAR1FFAR4S1PR1HPGD
SCHEMBL18178058 0.86 MRGPRX4 (0.47) MRGPRX4FFAR1HPGDPTGER1PTGER4
SCHEMBL18178089 0.86 MRGPRX4 (0.43) MRGPRX4S1PR1PTGER1
SCHEMBL18178121 0.86 MRGPRX4 (0.46) MRGPRX4FFAR1FFAR4HPGDPTGER1
SCHEMBL18178219 0.86 MRGPRX4 (0.37) MRGPRX4FFAR1FFAR4PTGER1
SCHEMBL18178092 0.85 MRGPRX4 (0.42) MRGPRX4S1PR1HPGDRXRARXRB

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 167/4885FFAR1 2736/4885FFAR4 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.