SCHEMBL5113586

SCHEMBL5113586

CCOc1cc(Cc2ccccn2)ccc1/C=C/C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.43
PTGER4 P35408 3/20 0.43
PTGER2 P43116 3/20 0.43
PTGER3 P43115 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGER1 P34995 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR Q13258 2/20 0.41
TBXA2R P21731 1/20 0.41
PTGFR P43088 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
SCHEMBL5113594 1.00 KDM4E (0.49) KDM4EALDH1A1GAACYP2C9CYP2C19
SCHEMBL5115003 0.76 L3MBTL1 (0.49) KDM4EALDH1A1GAACYP2C19NPC1
SCHEMBL2219126 0.75 AR (0.55) KDM4EALDH1A1GAALMNAPTGER4
SCHEMBL1536281 0.74 PTGER1 (0.66) KDM4EALDH1A1GAALMNAPTGER4
SCHEMBL1536282 0.74 PTGER1 (0.66) KDM4EALDH1A1GAALMNAPTGER4
SCHEMBL12870085 0.73 KDM4E (0.49) KDM4EALDH1A1GAALMNAPTGER4
Maleic Acid SCHEMBL27672252 0.73 ALDH1A1 (0.60) KDM4EALDH1A1CYP2C19LMNACYP2D6
SCHEMBL1173722 0.72 KDM4E (0.50) KDM4EALDH1A1GAALMNAPTGER4
SCHEMBL1173719 0.72 KDM4E (0.50) KDM4EALDH1A1GAALMNAPTGER4
SCHEMBL5106896 0.72 ALDH1A1 (0.43) KDM4EALDH1A1CYP2C19MEN1KMT2A

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 KDM4E 1854/4885ALDH1A1 1527/4885GAA 2633/4885

“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.