SCHEMBL17464286

SCHEMBL17464286

C=CCC(CCC)OCC(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP9 P14780 1/20 0.31
HPGD P15428 1/20 0.31
CTSK P43235 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
SCHEMBL29287648 0.78 CTSK (0.37) TSHRALDH1A1MMP9HPGDCTSK
SCHEMBL7738388 0.77 CTSK (0.36) TSHRALDH1A1MMP9CTSK
SCHEMBL2622860 0.75 THRB (0.32) TSHRMMP9
SCHEMBL21012236 0.73
SCHEMBL1170088 0.71 TSHR (0.33) TSHRALDH1A1MMP9
SCHEMBL29091396 0.70 CTSK (0.32) ALDH1A1CTSK
SCHEMBL3185207 0.69 PAM (0.32) TSHRALDH1A1
SCHEMBL3184155 0.69 PLA2G2C (0.35) TSHRALDH1A1CTSK
SCHEMBL8667788 0.69 TSHR (0.49) TSHRALDH1A1HPGDCTSK
SCHEMBL28540645 0.69 CTSK (0.31) ALDH1A1CTSK

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-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 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-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TSHR 4759/4885ALDH1A1 305/4885MMP9 54/4885

“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.