SCHEMBL3544910

SCHEMBL3544910

Nc1ccc([C@H]2CC/C(=C\C(=O)O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.39
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC18A3 Q16572 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP19A1 P11511 2/20 0.32
IKZF3 Q9UKT9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3544911 1.00 ESR2 (0.39) ESR2LMNAPOLBGAAMAPT
SCHEMBL3547927 1.00 ESR2 (0.39) ESR2LMNAPOLBGAAMAPT
SCHEMBL3547925 1.00 ESR2 (0.39) ESR2LMNAPOLBGAAMAPT
SCHEMBL3547323 0.84 BRD4 (0.40) ESR2LMNAGAAMAPTHTT
SCHEMBL3547397 0.84 BRD4 (0.40) ESR2LMNAGAAMAPTHTT
SCHEMBL3547327 0.84 BRD4 (0.40) ESR2LMNAGAAMAPTHTT
SCHEMBL3547399 0.84 BRD4 (0.40) ESR2LMNAGAAMAPTHTT
SCHEMBL13169140 0.79 ESR2 (0.67) ESR2LMNAGAAMAPTHTT
SCHEMBL13009596 0.79 ESR2 (0.67) ESR2LMNAGAAMAPTHTT
SCHEMBL13009589 0.79 ESR2 (0.67) ESR2LMNAGAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 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 (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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 ESR2 2111/4885LMNA 3296/4885POLB 1231/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ESR2 2062/4885LMNA 3477/4885POLB 1483/4885

“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.