SCHEMBL17014308

SCHEMBL17014308

CC(=O)c1ccc(C2CCC(C(C)=O)CC2)c2c1CCC2C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
DRD2 P14416 1/20 0.30

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
SCHEMBL17014309 0.78 NOTUM (0.39) NOTUMDRD2
SCHEMBL15585945 0.77 NOTUM (0.35) NOTUMKDM4EALDH1A1HPGDDRD2
SCHEMBL17014307 0.76 NOTUM (0.32) NOTUM
SCHEMBL16577454 0.73 NOTUM (0.35) NOTUMDRD2
SCHEMBL17014362 0.73 NOTUM (0.33) NOTUM
SCHEMBL17014323 0.72 ALDH1A1 (0.47) KDM4EALDH1A1HPGDDRD2
SCHEMBL15692841 0.71 NOTUM (0.33) NOTUM
SCHEMBL23849740 0.70 DRD2 (0.42) NOTUMKDM4EALDH1A1HPGDDRD2
SCHEMBL17014336 0.69 DRD2 (0.37) NOTUMKDM4EALDH1A1HPGDDRD2
SCHEMBL16577360 0.69 NOTUM (0.40) NOTUMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD NOTUM 2968/4885KDM4E 4762/4885ALDH1A1 588/4885

“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.