SCHEMBL26674348

SCHEMBL26674348

C=C(OCC)SC1CC2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GRM1 Q13255 2/20 0.33

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
SCHEMBL11005084 0.70 EPHX2 (0.41) EPHX2ALDH1A1GRM1
SCHEMBL3069400 0.66 MAPT (0.34)
SCHEMBL3080573 0.66 POLB (0.38) EPHX2
SCHEMBL24249563 0.65 POLB (0.37) EPHX2
SCHEMBL8864001 0.64 GRM1 (0.50) EPHX2ALDH1A1GRM1
SCHEMBL27578760 0.63 EPHX2 (0.30) EPHX2
SCHEMBL31178057 0.63 POLB (0.49) EPHX2ALDH1A1GRM1
SCHEMBL1862636 0.63 POLB (0.49) EPHX2ALDH1A1GRM1
SCHEMBL14040215 0.63
SCHEMBL2999547 0.62 ALDH1A1 (0.50) EPHX2ALDH1A1GRM1

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-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES Guangdong Raynovent Biotech Co., Ltd. (CN) 2023-10-26 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-20230339943-A1 ANTI-INFLUENZA VIRUS PYRIMIDINE DERIVATIVES ENTPD5, NUDT1, ITPA EPHX2 2770/4885ALDH1A1 602/4885GRM1 4317/4885

“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.