SCHEMBL18514538

SCHEMBL18514538

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.39
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 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
SCHEMBL18515076 0.90 KMT2A (0.41) MRGPRX4HPGDTP53RXFP1KDM4E
SCHEMBL18514535 0.89 AAK1 (0.36) HPGDKDM4EKMT2AAAK1GAA
SCHEMBL18515407 0.89 MRGPRX4 (0.47) MRGPRX4HPGDTP53RXFP1KDM4E
SCHEMBL18515416 0.89 MRGPRX4 (0.43) MRGPRX4HPGDTP53RXFP1KDM4E
SCHEMBL18514548 0.89 MRGPRX4 (0.35) MRGPRX4HPGDTP53RXFP1KDM4E
SCHEMBL18514537 0.88 SLC22A12 (0.41) HPGDTP53KMT2AAAK1CYP1A2
SCHEMBL18514539 0.88 AAK1 (0.36) MRGPRX4KDM4EKMT2AAAK1SMN1; SMN2
SCHEMBL18515000 0.88 MRGPRX4 (0.41) MRGPRX4HPGDTP53RXFP1KDM4E
SCHEMBL18760773 0.87 MRGPRX4 (0.41) MRGPRX4HPGDTP53RXFP1KDM4E
SCHEMBL18514531 0.87 POLB (0.39) MRGPRX4TP53RXFP1KDM4EKMT2A

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 959/4885HPGD 4800/4885TP53 1248/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885HPGD 4398/4885TP53 1755/4885

“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.