SCHEMBL5405463

SCHEMBL5405463

O=C(O)C=Cc1cc(OCc2ccccc2)nn1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 2/20 0.48
PTGER3 P43115 4/20 0.46
PTGER4 P35408 4/20 0.46
PTGER2 P43116 4/20 0.46
PTGER1 P34995 3/20 0.46
MDM2 Q00987 1/20 0.45
LMNA P02545 1/20 0.44
PTGDR Q13258 1/20 0.41
HTT P42858 1/20 0.41
AKR1C3 P42330 3/20 0.41
HCAR2 Q8TDS4 1/20 0.40
AKR1C2 P52895 1/20 0.39
GRM5 P41594 1/20 0.39
GRM3 Q14832 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5405458 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EPKMPTGER3PTGER4
SCHEMBL4852255 0.85 PKM (0.43) ALDH1A1PKMMDM2HTTGRM5
SCHEMBL6035428 0.84 PKM (0.52) ALDH1A1KDM4EPKMPTGER3PTGER4
SCHEMBL6035432 0.84 PKM (0.52) ALDH1A1KDM4EPKMPTGER3PTGER4
SCHEMBL4848397 0.83 MDM2 (0.41) ALDH1A1PKMMDM2HTTGRM5
SCHEMBL4848415 0.83 MDM2 (0.41) ALDH1A1PKMMDM2HTTGRM5
SCHEMBL5113557 0.82 PKM (0.48) ALDH1A1KDM4EPKMPTGER3PTGER4
SCHEMBL5113563 0.82 PKM (0.48) ALDH1A1KDM4EPKMPTGER3PTGER4
SCHEMBL5107853 0.81 KDM4E (0.48) ALDH1A1KDM4EPKMPTGER3PTGER4
SCHEMBL5107858 0.81 KDM4E (0.48) ALDH1A1KDM4EPKMPTGER3PTGER4

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-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 ALDH1A1 134/4885KDM4E 1421/4885PKM 3483/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 ALDH1A1 1442/4885KDM4E 509/4885PKM 2082/4885

“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.