SCHEMBL1734564

SCHEMBL1734564

COC(=O)CC1(C(=O)O)CCCC(C)(C)O1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.32
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL13059598 1.00 KARS1 (0.32) KARS1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL1462631 0.90 TP53 (0.33) KARS1TP53
SCHEMBL1462630 0.90 TP53 (0.33) KARS1TP53
Cyclohexylamine SCHEMBL27710809 0.88 KARS1 (0.31) KARS1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL19809999 0.87 NPSR1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12393353 0.87 NPSR1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7127146 0.84 GAA (0.40)
SCHEMBL5553336 0.84 GAA (0.40)
SCHEMBL12153167 0.84 ATP1A1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL5554373 0.83 CYP2D6 (0.36)

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO claimed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP claimed
EP-1907371-B1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE SPA (IT) 2011-11-23 EP claimed
US-8008514-B2 Process for preparing 2-methoxycarbonylmethyl-6,6-dimethyl-2-tetrahydropyran carboxylic acid ERREGIERRE S.P.A. (IT) 2011-08-30 US claimed
CN-101233123-B Process for the preparation of 2-methoxycarbonylmethyl-6, 6-dimethyl-2-tetrahydropyran carboxylic acid ERREGIERRE SPA 2011-05-11 CN claimed
US-20090043093-A1 Process for Preparing 2-Methoxycarbonylmethyl-6,6-Dimethyl-2-Tetrahydropyran Carboxylic Acid STRAGEN PHARMA SA (CH) 2009-02-12 US claimed
EP-1907371-A1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE S.p.A. (IT) 2008-04-09 EP claimed
WO-2007009953-A1 PROCESS FOR PREPARING 2-METHOXYCARBONYLMETHYL-6,6-DIMETHYL-2- TETRAHYDROPYRAN CARBOXYLIC ACID ERREGIERRE S.P.A. (IT) 2007-01-25 WO claimed
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
WO-2018019549-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.P.A. (IT) 2018-02-01 WO disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP disclosed
EP-3275875-A1 DIOXOLANONE INTERMEDIATE USEFUL IN THE SYNTHESIS OF HOMOHARRINGTONINE INDENA S.p.A. (IT) 2018-01-31 EP disclosed
EP-1064285-B1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION STRAGEN PHARMA SA (CH) 2005-02-16 EP disclosed
US-6831180-B1 Substituted tertiary carboxylic oxacycloalkane acids, used to prepare anhydro-homo-harringtonic acids by semi-synthesis; hydroxyl function of a cephalotaxane is esterified with a 2-carboxyl-2-alkyl-1-oxacycloalkane claimed intermediate; (indexing from 7169774 added) STRAGEN PHARMA SA. (CH) 2004-12-14 US disclosed
US-6613900-B2 Asymetric hemisynthesis of harringtonines and their analogs, that are alkaloids used in chemotherapy. ONCOPHARM CORPORATION 2003-09-02 US disclosed
US-20020045750-A1 Asymetric hemisynthesis of harringtonines and their analogs, that are alkaloids used in chemotherapy. IVAX International GmbH (CH) 2002-04-18 US disclosed
EP-1064285-A1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION Oncopharm Corporation (US) 2001-01-03 EP disclosed
WO-1999048894-A1 NOVEL CEPHALOTAXANE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ONCOPHARM CORPORATION (US) 1999-09-30 WO 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 (2 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-20020045750-A1 Asymetric hemisynthesis of harringtonines and their analogs, that are alkaloids used in chemotherapy. AAAS, AARS1, AADAT KARS1 93/4885ATP1A1 4114/4885ATP1B1 3744/4885
US-20090043093-A1 Process for Preparing 2-Methoxycarbonylmethyl-6,6-Dimethyl-2-Tetrahydropyran Carboxylic Acid HPD, ACMSD, MVD KARS1 3369/4885ATP1A1 4226/4885ATP1B1 4511/4885

“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.