SCHEMBL4445787

SCHEMBL4445787

CCOC(=O)C1(C(=O)OCC)CC2OC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.43
PTPN1 P18031 2/20 0.43
PPP1CC P36873 2/20 0.43
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM1 Q13255 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 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
SCHEMBL25492041 0.82 PPM1B (0.42) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL25492028 0.82 PPM1B (0.42) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL6997672 0.81 PPM1B (0.38) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL12030067 0.79 ALDH1A1 (0.39) ATMPOLBALDH1A1LMNAHSD17B10
SCHEMBL11938481 0.79 ALDH1A1 (0.39) ATMPOLBALDH1A1LMNAHSD17B10
SCHEMBL1962459 0.79 ALDH1A1 (0.39) ATMPOLBALDH1A1LMNAHSD17B10
SCHEMBL1964683 0.79 ALDH1A1 (0.39) ATMPOLBALDH1A1LMNAHSD17B10
SCHEMBL8319234 0.78 PPM1B (0.36) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL34461866 0.78 ALOX15 (0.39) PPM1BPTPN1PPP1CCATMPOLB
SCHEMBL10485886 0.78 ALDH1A1 (0.37) ATMPOLBALDH1A1LMNAHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 US disclosed
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 US disclosed
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 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-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS DDO, APEX1, MMAB PPM1B 4183/4885PTPN1 4435/4885PPP1CC 3835/4885

“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.