SCHEMBL7195271

SCHEMBL7195271

COC(=O)CC(=O)CC1C=CCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
MAPT P10636 1/20 0.37
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TSHR P16473 1/20 0.31
EPHX2 P34913 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 0.87 USP2 (0.46) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL16614310 0.87 USP2 (0.46) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL13359529 0.87 USP2 (0.46) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL19270187 0.78 CHRNB2 (0.46) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL10837418 0.77 USP2 (0.38) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL10315910 0.74 ALDH1A1 (0.63) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL19269485 0.74 CHRNB2 (0.43) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL10167942 0.74
SCHEMBL11836421 0.73 CHRNB2 (0.45) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL16614383 0.73 CHRNB2 (0.45) 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
US-6506908-B2 From bicyclo(3.1.0)hexabe; decyclization; decarboxylation MERCK & CO., INC. 2003-01-14 US disclosed
US-20020016492-A1 Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones MERCK SHARP & DOHME CORP. 2002-02-07 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-20020016492-A1 Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones CCR1, CCR5, CCR6 USP2 3542/4885ALDH1A1 2952/4885ALOX15 244/4885

“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.