SCHEMBL14828626

SCHEMBL14828626

COC(=O)[C@H]1C[C@H]2O[C@H]2C[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.43
PTPN1 P18031 1/20 0.43
PPP1CC P36873 1/20 0.43
PPP5C P53041 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 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
SCHEMBL2318293 1.00 PPM1B (0.43) PPM1BPTPN1PPP1CCPPP5CCHRM2
SCHEMBL9657738 0.89 PPM1B (0.50) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL21000602 0.89 PPM1B (0.50) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL21000542 0.82 PPM1B (0.53) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL11275427 0.81 PPM1B (0.39) PPM1BPTPN1PPP1CCPPP5CMAPK1
SCHEMBL1717660 0.81 PPP5C (0.34) PPM1BPTPN1PPP1CCPPP5CTSHR
SCHEMBL18998727 0.80
SCHEMBL295218 0.80
SCHEMBL17147617 0.80
SCHEMBL14086035 0.80

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-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 PPM1B 3669/4885PTPN1 3405/4885PPP1CC 2848/4885

“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.