SCHEMBL685482

SCHEMBL685482

CC1(C)[C@@H]2CCC(=O)[C@@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
CES2 O00748 1/20 0.34
MAPT P10636 1/20 0.32
TLR4 O00206 4/20 0.31
ESR2 Q92731 2/20 0.30
ESR1 P03372 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL720591 1.00 TSHR (0.38) TSHRMAPK1CES2MAPTTLR4
SCHEMBL2388827 1.00 TSHR (0.38) TSHRMAPK1CES2MAPTTLR4
SCHEMBL10008216 1.00 TSHR (0.38) TSHRMAPK1CES2MAPTTLR4
Phenylhydrazine SCHEMBL3087254 0.79 CYP1A2 (0.40) TDP1
SCHEMBL14099602 0.78 MAPT (0.34) MAPTTLR4
SCHEMBL1719695 0.74 TSHR (0.43) TSHRMAPK1KDM4EHTTTDP1
Beta-Pinene SCHEMBL900792 0.73 TSHR (0.38) TSHRMAPK1KDM4EHTTTDP1
(+)-Beta-Pinene SCHEMBL3506800 0.73 TSHR (0.38) TSHRMAPK1KDM4EHTTTDP1
Beta-Pinene SCHEMBL1636093 0.73 TSHR (0.38) TSHRMAPK1KDM4EHTTTDP1
Beta-Pinene SCHEMBL1532504 0.73 TSHR (0.38) TSHRMAPK1KDM4EHTTTDP1

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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 TSHR 3794/4885MAPK1 4390/4885CES2 84/4885

“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.