SCHEMBL13359529

SCHEMBL13359529

COC(=O)C[C@@H]1C=CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
MAPT P10636 1/20 0.40
TSHR P16473 4/20 0.34
BRD4 O60885 1/20 0.34
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
EPHX2 P34913 1/20 0.32
MIF P14174 5/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL1691605 1.00 USP2 (0.46) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL16614310 1.00 USP2 (0.46) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL10837418 0.89 USP2 (0.38) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL7195271 0.87 USP2 (0.43) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL10315910 0.81 ALDH1A1 (0.63) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL14065524 0.80 ALDH1A1 (0.43) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL4428008 0.80 USP2 (0.43) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL28857857 0.79 TDP1 (0.42) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL19259374 0.79 ALDH1A1 (0.49) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL12987236 0.78 USP2 (0.44) USP2ALDH1A1ALOX15TDP1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2186795-A1 (1S, 2S, 3S, 4R)-3-Ý(1S)-1-ACETYLAMINO-2-ETHYL-BUTYL¨-4-GUANIDINO-2- HYDROXYL-CYCLOPENTYL-1-CARBOXYLIC ACID HYDRATES AND PHARMACEUTICAL USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2010-05-19 EP disclosed
US-20070112030-A1 Processes for preparing bicyclo [3.1.0] hexane derivatives, and intermediates thereto MERCK & CO., INC. 2007-05-17 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-20070112030-A1 Processes for preparing bicyclo [3.1.0] hexane derivatives, and intermediates thereto GRM1, GRM3, GRM2 USP2 3996/4885ALDH1A1 2992/4885ALOX15 99/4885

“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.