SCHEMBL18182012

SCHEMBL18182012

CCC(=O)Oc1cccc(OC)c1COc1ccc(CC)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.44
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
S1PR1 P21453 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR2 O15552 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18182159 0.92 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGPTGDR2
SCHEMBL18181983 0.92 RXRA (0.47) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL18156260 0.91 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGPTGDR2
SCHEMBL18156264 0.90 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL18182569 0.89 MRGPRX4 (0.45) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL18156351 0.89 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL18156350 0.88 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL18182570 0.88 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGS1PR1
SCHEMBL18156348 0.88 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGPTGDR2
SCHEMBL18156259 0.87 MRGPRX4 (0.41) MRGPRX4RXRARXRBRXRGPTGDR2

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 167/4885RXRA 361/4885RXRB 644/4885

“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.