SCHEMBL22036030

SCHEMBL22036030

CC(COC(=O)C1CC2CC(C1)O2)OC(=O)C1CCC2OC2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.31
PTPN1 P18031 2/20 0.31
PPP1CC P36873 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
SCHEMBL12482232 0.93 PPM1B (0.35) PPM1BPTPN1PPP1CC
SCHEMBL7896016 0.88 PPM1B (0.32) PPM1BPTPN1PPP1CC
SCHEMBL13264357 0.84 ADRB2 (0.32)
SCHEMBL13935369 0.83 PPM1B (0.37) PPM1BPTPN1PPP1CC
SCHEMBL22036031 0.83
SCHEMBL12510730 0.83 PPM1B (0.32) PPM1BPTPN1PPP1CC
SCHEMBL13935317 0.82 PPM1B (0.34) PPM1BPTPN1PPP1CC
SCHEMBL27433164 0.82
SCHEMBL14505068 0.81 TSHR (0.45) PPM1BPTPN1PPP1CC
SCHEMBL14505069 0.81 TSHR (0.39) PPM1BPTPN1PPP1CC

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-20200165218-A1 METHODS FOR MAKING CYCLOHEXENE OXIDE-CONTAINING ESTERS ARKEMA INC. 2020-05-28 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-20200165218-A1 METHODS FOR MAKING CYCLOHEXENE OXIDE-CONTAINING ESTERS CBR1, ADH1A, AOX1 PPM1B 4481/4885PTPN1 4444/4885PPP1CC 4597/4885

“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.