SCHEMBL4117495

SCHEMBL4117495

C=CCC(C(=O)O)P(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CPA1 P15085 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL4122899 0.81 GRIK1 (0.35) CYP2C19GRIK1GRIK2ALDH1A1LMNA
SCHEMBL262483 0.79 POLB (0.43) POLBCYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL11801523 0.79 POLB (0.43) POLBCYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL21828164 0.76 CYP3A4 (0.41) POLBCYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL14561060 0.76 POLB (0.41) POLBCYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL194844 0.76 POLB (0.42) POLBCYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL2364326 0.75 TSHR (0.32) TSHR
SCHEMBL9723381 0.75 TSHR (0.39) POLBCYP2C19CYP3A4CYP2C9GAA
SCHEMBL20201445 0.75 GRIK1 (0.38) CYP2C19GRIK1GRIK2MAPTCPA1
SCHEMBL30008276 0.74 POLB (0.40) POLBCYP2C19CYP3A4CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259227-B1 BENZHYDRYLOXYETHYL PIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme: LES LABORATOIRES MERAM (FR) 1991-12-27 EP claimed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
US-7250402-B2 Avermectin derivatives THE KITASATO INSTITUTE (JP) 2007-07-31 US disclosed
US-20050148520-A1 Avermectin derivatives KITASATO INSTITUTE (JP) 2005-07-07 US disclosed
US-20040214232-A1 Generation of skeletal diversity within a combinatorial library HOWARD HUGHES MEDICAL INSTITUTE 2004-10-28 US disclosed
US-20040087519-A1 Avermectin derivatives KITASATO INSTITUTE, THE (JP) 2004-05-06 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 (3 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-20040087519-A1 Avermectin derivatives SUV39H1, ZC3HAV1L, ZC3HAV1 POLB 4407/4885CYP2C19 1468/4885CYP3A4 1054/4885
US-20050148520-A1 Avermectin derivatives DOT1L, ARG1, CARM1 POLB 3797/4885CYP2C19 1395/4885CYP3A4 996/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR POLB 2945/4885CYP2C19 1331/4885CYP3A4 1692/4885

“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.