SCHEMBL4172097

SCHEMBL4172097

CCC(=O)N(CC[O])Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
OPRM1 P35372 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
REN P00797 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSPO P30536 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL4160271 0.90 REN (0.54) ALDH1A1OPRM1NPSR1LMNAREN
SCHEMBL6433208 0.87 ALDH1A1 (0.64) ALDH1A1OPRM1NPSR1LMNAMEN1
SCHEMBL4167652 0.87 TP53 (0.54) ALDH1A1LMNARENMEN1KMT2A
SCHEMBL13472619 0.85 ALDH1A1 (0.54) ALDH1A1OPRM1NPSR1LMNAREN
SCHEMBL4162457 0.84 LTB4R2 (0.59) ALDH1A1LMNARENNPC1CNR2
SCHEMBL14224515 0.83 HDAC1 (0.58) ALDH1A1OPRM1NPSR1LMNAREN
SCHEMBL4156966 0.83 LTB4R2 (0.54) ALDH1A1LMNANPC1CNR2
SCHEMBL28319972 0.82 ALDH1A1 (0.56) ALDH1A1OPRM1NPSR1LMNAREN
SCHEMBL4165489 0.82 CNR2 (0.56) ALDH1A1LMNANPC1CNR2
SCHEMBL4168772 0.82 CNR2 (0.56) ALDH1A1LMNANPC1CNR2

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 ALDH1A1 2505/4885OPRM1 819/4885NPSR1 259/4885

“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.