SCHEMBL21097368

SCHEMBL21097368

CO[C@@H]1CC[C@@H](C)[C@H](C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.33
PPP5C P53041 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
MAPK8 P45983 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
BTK Q06187 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
SCHEMBL21097367 1.00 GABRR1 (0.33) GABRR1PPP5CEPHX1EPHX2MAPK8
SCHEMBL17814233 0.86 GABRR1 (0.34) GABRR1EPHX2DPP4DPP7SLC1A2
SCHEMBL17803107 0.86 GABRR1 (0.34) GABRR1EPHX2DPP4DPP7SLC1A2
SCHEMBL17802833 0.86 GABRR1 (0.34) GABRR1EPHX2DPP4DPP7SLC1A2
SCHEMBL10736038 0.85 GABRR1 (0.37) GABRR1EPHX2DPP4DPP7SLC1A2
SCHEMBL10736034 0.85 GABRR1 (0.37) GABRR1EPHX2DPP4DPP7SLC1A2
SCHEMBL21676267 0.80 GABRR1 (0.33) GABRR1EPHX2DPP4DPP7SLC1A2
SCHEMBL20024768 0.78 GABRR1 (0.42) GABRR1SLC1A2
SCHEMBL21097353 0.78 MAPK1 (0.34) BTK
SCHEMBL21162375 0.78 PPM1B (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-10343974-B1 Cyclohexanol ethers as mediterranean fruit fly attractants The United States of America, as represented by The Secretary of America (US) 2019-07-09 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-10343974-B1 Cyclohexanol ethers as mediterranean fruit fly attractants C3AR1, CERS2, C1S GABRR1 4013/4885PPP5C 4080/4885EPHX1 1795/4885

“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.