SCHEMBL4155032

SCHEMBL4155032

[O]CCN(c1ccccc1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRM1 P35372 3/20 0.41
HTT P42858 2/20 0.41
CHRM1 P11229 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
OPRK1 P41145 2/20 0.41
DRD2 P14416 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
SCHEMBL4164624 0.98 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL11692389 0.81 KDM4E (0.53) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL17046170 0.80 DRD3 (0.46) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL5801159 0.80 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL3586530 0.80 ALDH1A1 (0.51) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL17046111 0.79 TRPV1 (0.47) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL11692158 0.79 OPRM1 (0.51) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL4802959 0.77 KDM4E (0.45) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL11690784 0.77 DRD2 (0.51) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL11113870 0.77 ESR1 (0.46) KDM4EMEN1ALDH1A1KMT2ANPC1

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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 KDM4E 1880/4885MEN1 4879/4885ALDH1A1 2505/4885

“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.