SCHEMBL2987791

SCHEMBL2987791

C=C(c1ccccc1)C(C)(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
ATM Q13315 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CES1 P23141 4/20 0.42
CES2 O00748 3/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
SRC P12931 1/20 0.41
EGFR P00533 2/20 0.40
AKT1 P31749 1/20 0.40
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6067661 0.83 ATM (0.44) ELANEATMMAPTLMNAXBP1
SCHEMBL9867851 0.81 SRC (0.44) ELANEATMMAPTLMNAXBP1
SCHEMBL2991174 0.79 TDP1 (0.44) ELANEATMMAPTLMNAXBP1
SCHEMBL10713050 0.78 MAPT (0.42) ATMMAPTLMNAXBP1SMN1; SMN2
SCHEMBL819138 0.77 CES1 (0.54) ELANEMAPTSMN1; SMN2TSHRTDP1
SCHEMBL965081 0.77 ATM (0.40) ELANEATMMAPTLMNAXBP1
SCHEMBL28304793 0.76 CES1 (0.52) ELANEMAPTTSHRTDP1ALDH1A1
SCHEMBL25912437 0.75 ATM (0.39) ATMMAPTLMNAXBP1SMN1; SMN2
SCHEMBL7545115 0.75 SRC (0.41) ATMMAPTLMNAXBP1SMN1; SMN2
SCHEMBL29033193 0.74 SMN1; SMN2 (0.48) MAPTSMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329497-B1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH & CIE (CH) 2010-12-01 EP claimed
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 ELANE 2590/4885ATM 2426/4885MAPT 3403/4885

“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.