SCHEMBL1149428

SCHEMBL1149428

CCCCCNC=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 11/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN1 P18031 3/20 0.45
ACP1 P24666 2/20 0.45
CDC25B P30305 2/20 0.45
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH7 P40394 2/20 0.42
EPHX1 P07099 1/20 0.42
ADH4 P08319 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 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
SCHEMBL27945031 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1CYP2C9CYP1A2
SCHEMBL27945032 0.98 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1CYP2C9CYP1A2
SCHEMBL20786806 0.74 PTPN1 (0.46) SMN1; SMN2LMNAALDH1A1CYP2C9CYP1A2
SCHEMBL8798952 0.71 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL8798485 0.71 ADH1B (0.42) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL17816973 0.70 ADH1B (0.44) LMNAALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL21218107 0.69 ALDH1A1 (0.55) SMN1; SMN2LMNAALDH1A1CYP2C9CYP1A2
SCHEMBL3019082 0.68 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1CYP2C9CYP1A2
SCHEMBL3019079 0.68 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1CYP2C9CYP1A2
SCHEMBL21822028 0.68 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO disclosed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP disclosed
US-7999115-B2 Spiro antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (SE) 2011-08-16 US disclosed
US-7888359-B2 Cyclohexyl or piperidinyl carboxamide antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-02-15 US disclosed
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 US disclosed
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP disclosed
EP-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP disclosed
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
EP-2066678-A1 SPIRO ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-06-10 EP disclosed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 WO disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 WO disclosed
WO-2007086016-A1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1539133-B1 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2006-08-23 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1549156-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT Investigacion Y Nutricion, S.L. (ES) 2005-07-06 EP disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 WO disclosed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 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-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES NR0B1, NRDC, NR4A1 SMN1; SMN2 3376/4885LMNA 657/4885ALDH1A1 573/4885
US-20060040925-A1 Aminocyclohexene quinolines and their azaisosteric analogues with antibacterial activity QARS1, NQO2, AAAS SMN1; SMN2 3063/4885LMNA 3661/4885ALDH1A1 3233/4885

“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.