SCHEMBL6035128

SCHEMBL6035128

O=C(O)/C=C/c1cc(OCc2ccccc2)nn1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
PTGER3 P43115 3/20 0.42
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER2 P43116 2/20 0.42
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
S1PR1 P21453 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ3 P48549 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
PTGDR Q13258 1/20 0.38

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
SCHEMBL6035132 1.00 KDM4E (0.44) KDM4EALDH1A1PKMPTGER3PTGER1
SCHEMBL6036020 0.80 LMNA (0.43) ALDH1A1LMNAHRH3SGMS2KCNJ6
SCHEMBL6035432 0.79 PKM (0.52) KDM4EALDH1A1PKMPTGER3PTGER1
SCHEMBL6035428 0.79 PKM (0.52) KDM4EALDH1A1PKMPTGER3PTGER1
SCHEMBL6035636 0.78 HRH3 (0.43) HRH3SGMS2FABP3FABP4KCNJ6
SCHEMBL5405463 0.78 ALDH1A1 (0.48) KDM4EALDH1A1PKMPTGER3PTGER1
SCHEMBL5405458 0.78 ALDH1A1 (0.48) KDM4EALDH1A1PKMPTGER3PTGER1
SCHEMBL5113563 0.78 PKM (0.48) KDM4EALDH1A1PKMPTGER3PTGER1
SCHEMBL5113557 0.78 PKM (0.48) KDM4EALDH1A1PKMPTGER3PTGER1
SCHEMBL5107853 0.77 KDM4E (0.48) KDM4EALDH1A1PKMPTGER3PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 KDM4E 509/4885ALDH1A1 1442/4885PKM 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.