SCHEMBL2991174

SCHEMBL2991174

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SRC P12931 1/20 0.43
DGAT1 O75907 1/20 0.42
ELANE P08246 8/20 0.41
ATM Q13315 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC7A5 Q01650 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 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
SCHEMBL2985728 0.81 SRC (0.50) TDP1TSHRALDH1A1HSD17B10SRC
SCHEMBL2987791 0.79 ELANE (0.47) TDP1TSHRALDH1A1HSD17B10SRC
SCHEMBL3875454 0.78 TDP1 (0.58) TDP1TSHRALDH1A1HSD17B10SRC
Hydrochloric Acid SCHEMBL31332428 0.76 TDP1 (0.57) TDP1TSHRALDH1A1HSD17B10SRC
SCHEMBL19464085 0.76 TDP1 (0.48) TDP1TSHRALDH1A1HSD17B10ELANE
SCHEMBL27552401 0.75 MAPT (0.60) TDP1TSHRALDH1A1HSD17B10ELANE
SCHEMBL6049022 0.75 TDP1 (0.41) TDP1TSHRALDH1A1HSD17B10SRC
SCHEMBL3030718 0.74 TDP1 (0.43) TDP1TSHRALDH1A1HSD17B10SRC
Carbamic Acid SCHEMBL28106682 0.74 TDP1 (0.54) TDP1TSHRALDH1A1HSD17B10ELANE
SCHEMBL8752596 0.73 CES2 (0.52) TDP1TSHRALDH1A1HSD17B10ATM

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-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 TDP1 1470/4885TSHR 1826/4885ALDH1A1 288/4885

“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.