SCHEMBL5116555

SCHEMBL5116555

CCOC(=O)C1CC2OC2C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.53
PTPN1 P18031 1/20 0.53
PPP1CC P36873 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.40

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
SCHEMBL12632423 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL30546033 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL31162350 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL26040179 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL31162293 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL7104264 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL14996279 1.00 PPM1B (0.53) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL2318955 0.89 PPM1B (0.56) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL765159 0.89 PPM1B (0.56) PPM1BPTPN1PPP1CCMEN1KMT2A
SCHEMBL3340559 0.89 PPM1B (0.56) PPM1BPTPN1PPP1CCMEN1KMT2A

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-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 US disclosed
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 US disclosed
WO-2007072507-A2 POLYMORPHIC FORMS OF DOLASETRON BASE AND PROCESSES OF PREPARING DOLASETRON BASE, ITS POLYMORPHIC FORMS AND SALT THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed
WO-2007072506-A2 POLYMORPHIC FORMS OF DOLASETRON MESYLATE AND PROCESSES THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed
EP-0994882-B1 MANUFACTURE OF OPTICALLY ACTIVE HALOHYDRIN TRIALKYLSILYL ETHERS DU PONT (US) 2003-09-10 EP disclosed
US-6207847-B1 REACTING AN EPOXIDE WITH AN AZIDOTRIMETHYLSILANE; THEN HYDROCARBON HALIDE E. I. DU PONT DE NEMOURS AND COMPANY 2001-03-27 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-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof CYP4A11, CYP3A43, VKORC1 PPM1B 3068/4885PTPN1 3690/4885PPP1CC 1922/4885

“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.