SCHEMBL15375452

SCHEMBL15375452

C#C/C=C(/CC)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TSHR P16473 4/20 0.44
F2 P00734 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
SLC6A3 Q01959 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 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
SCHEMBL10900780 0.79 LMNA (0.49) LMNATSHRF2CES2CES1
SCHEMBL28818564 0.78 LMNA (0.47) LMNATSHRF2CES2CES1
SCHEMBL29076152 0.74 LMNA (0.47) LMNATSHRF2CES2CES1
SCHEMBL9183020 0.74 TDP1 (0.48) LMNATSHRF2CES2CES1
SCHEMBL4577714 0.73 LMNA (0.46) LMNATSHRF2CES2CES1
SCHEMBL5799668 0.72 TSHR (0.52) LMNATSHRF2CES2CES1
SCHEMBL5799667 0.72 TSHR (0.52) LMNATSHRF2CES2CES1
SCHEMBL242716 0.72 LMNA (0.57) LMNATSHRF2CES2CES1
SCHEMBL10713857 0.72 LMNA (0.48) LMNATSHRF2CES2CES1
Methyl Alcohol SCHEMBL19514313 0.71 TSHR (0.65) LMNATSHRF2CES2CES1

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-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 LMNA 3214/4885TSHR 4087/4885F2 1899/4885

“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.