SCHEMBL4150306

SCHEMBL4150306

C/C=C/C(=O)[N]Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
GPR52 Q9Y2T5 5/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
SLC15A1 P46059 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KEAP1 Q14145 1/20 0.35
CTBP2 P56545 1/20 0.35

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
SCHEMBL1040588 0.78 NOS2 (0.50) NOS2CES2CES1AKR1B1GRIN1
SCHEMBL2500288 0.73 CES2 (0.48) NOS2CES2CES1AKR1B1GRIN1
SCHEMBL3686805 0.72 NOS2 (0.44) NOS2CES2CES1AKR1B1GRIN1
SCHEMBL817467 0.71 NOS2 (0.42) NOS2CES2CES1AKR1B1GRIN1
SCHEMBL11810722 0.71 CES1 (0.52) GPR52CES2CES1AKR1B1ALDH1A1
SCHEMBL4155184 0.71 GLA (0.36) CES2CES1ALDH1A1LMNACYP2D6
SCHEMBL7451798 0.71 GLA (0.36) CES2CES1ALDH1A1LMNACYP2D6
SCHEMBL1245524 0.71 CES1 (0.52) GPR52CES2CES1AKR1B1ALDH1A1
SCHEMBL11810715 0.71 CES1 (0.52) GPR52CES2CES1AKR1B1ALDH1A1
SCHEMBL817534 0.71 NOS2 (0.42) NOS2CES2CES1AKR1B1GRIN1

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 NOS2 1059/4885GPR52 501/4885CES2 1150/4885

“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.