SCHEMBL18515416

SCHEMBL18515416

CCc1ccc(OCc2c(NC(=O)OC)cccc2C(F)F)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.43
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
AAK1 Q2M2I8 3/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18515059 0.90 MRGPRX4 (0.41) MRGPRX4RXRARXRBRXRGCYP3A4
SCHEMBL18514535 0.89 AAK1 (0.36) AAK1GAAKDM4EMEN1MAPT
SCHEMBL18515407 0.89 MRGPRX4 (0.47) MRGPRX4RXRARXRBRXRGCYP3A4
SCHEMBL18514538 0.89 MRGPRX4 (0.39) MRGPRX4RXRARXRBRXRGAAK1
SCHEMBL18514559 0.89 MRGPRX4 (0.39) MRGPRX4RXRARXRBRXRGGAA
SCHEMBL18515423 0.88 MRGPRX4 (0.45) MRGPRX4RXRARXRBRXRGGAA
SCHEMBL18515421 0.88 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGCYP3A4
SCHEMBL18515434 0.88 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGCYP3A4
SCHEMBL18514943 0.88 KMT2A (0.36) AAK1GAAKDM4EMEN1MAPT
SCHEMBL18515403 0.87 FFAR4 (0.40) MRGPRX4MEN1MAPTHTTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 EP 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 (2 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 MRGPRX4 959/4885RXRA 1385/4885RXRB 2124/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885RXRA 897/4885RXRB 1290/4885

“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.