SCHEMBL8948689

SCHEMBL8948689

CCN1CC(OCC(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTGIR P43119 6/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 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
SCHEMBL22329120 0.85 CYP3A4 (0.31) CYP3A4CYP1A2CYP2D6PTGIR
SCHEMBL8948744 0.83 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6PTGIRCHRM2
SCHEMBL8948673 0.81 SMN1; SMN2 (0.47) PTGIRITGB3ITGA2BSMN1; SMN2CHRM3
SCHEMBL22565682 0.79 KMT2A (0.41) CYP3A4CYP1A2CYP2D6ITGB3ITGA2B
SCHEMBL21191254 0.79 KHK (0.31) ITGB3ITGA2B
SCHEMBL23996178 0.78 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL21405261 0.77 PTGIR (0.35) PTGIRITGB3ITGA2BPDK2
SCHEMBL20722066 0.76 PDK2 (0.38) PTGIRITGB3ITGA2BPDK2
SCHEMBL20179858 0.74 ITGB3 (0.35) CYP1A2PTGIRITGB3ITGA2BPDK2
SCHEMBL8948647 0.74 ATM (0.52) PTGIRITGB3ITGA2BSMN1; SMN2PDK2

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-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-11-09 US disclosed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 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-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, DHPS, HPRT1 CYP3A4 139/4885CYP1A2 195/4885CYP2D6 57/4885

“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.