SCHEMBL5118921

SCHEMBL5118921

CC(C)Oc1cc(CO)cc(COc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.61
ENPP2 Q13822 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL5110649 0.88 MRGPRX4 (0.50) MRGPRX4ENPP2SMN1; SMN2HPGDCYP1A2
SCHEMBL5105315 0.84 MRGPRX4 (0.64) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A
SCHEMBL5114936 0.81 MRGPRX4 (0.71) MRGPRX4SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL22480615 0.76 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL31568468 0.76 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5120342 0.76 FFAR4 (0.48) MRGPRX4SMN1; SMN2FFAR4
SCHEMBL11509340 0.75 MRGPRX4 (0.54) MRGPRX4SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5107914 0.75 GRIN2D (0.55) CYP1A2GAACYP2D6CYP2C19FFAR4
SCHEMBL5106677 0.74 PPARG (0.51) MRGPRX4RAB9AHPGDFFAR4USP2
SCHEMBL16687444 0.71 ENPP2 (0.85) MRGPRX4ENPP2SMN1; SMN2NPC1RAB9A

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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 (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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 MRGPRX4 826/4885ENPP2 2257/4885SMN1; SMN2 3876/4885

“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.