SCHEMBL4253933

SCHEMBL4253933

COCCCn1nc(C)c2ccc(/C=C(/CO)C(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.45
KMO O15229 1/20 0.37
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GLS O94925 1/20 0.32
SLC22A12 Q96S37 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
SCHEMBL4250516 0.84 REN (0.47) RENKMOSLC22A12
SCHEMBL4254607 0.82 REN (0.45) RENKMOADORA2AADORA2BSLC22A12
SCHEMBL4249553 0.80 REN (0.45) RENKMOADORA2AADORA2BGLS
SCHEMBL13448565 0.80 REN (0.45) RENKMOADORA2AADORA2BGLS
SCHEMBL4592671 0.79 REN (0.42) REN
SCHEMBL78153 0.77 REN (0.55) RENKMOADORA2AADORA2BGLS
SCHEMBL13132264 0.77 REN (0.46) RENKMOADORA2AADORA2BGLS
SCHEMBL91359 0.76 REN (0.46) RENKMOADORA2AADORA2BGLS
SCHEMBL4736285 0.74 REN (0.44) RENKMOADORA2AADORA2BGLS
SCHEMBL13879065 0.74 REN (0.45) RENKMOADORA2AADORA2BSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088576-A1 Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-04-02 US disclosed
US-20090088576-A1 Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-04-02 US disclosed
US-20090088576-A1 Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-04-02 US disclosed
EP-1979323-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF ALCOHOLS FROM ALPHA, BETA-INSATURATED COMPOUNDS Speedel Experimenta AG (CH) 2008-10-15 EP disclosed
WO-2008077917-A1 PROCESS FOR PREPARING (R OR S)-2-ALKYL-3-HETEROCYCLYL-1-PROPANOLS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2008077917-A1 PROCESS FOR PREPARING (R OR S)-2-ALKYL-3-HETEROCYCLYL-1-PROPANOLS NOVARTIS AG (CH) 2008-07-03 WO disclosed
EP-1939182-A1 Process for the preparation of (R or S)-2-Alkyl-3-heterocyclyl-1-propanols Speedel Experimenta AG (CH) 2008-07-02 EP disclosed
EP-1939182-A1 Process for the preparation of (R or S)-2-Alkyl-3-heterocyclyl-1-propanols Speedel Experimenta AG (CH) 2008-07-02 EP disclosed
WO-2008055939-A2 PROCESS FOR PREPARING 2-ALKYL-3-HETEROCYCLYL- PROP-2-EN- 1-OL DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed
WO-2008055939-A2 PROCESS FOR PREPARING 2-ALKYL-3-HETEROCYCLYL- PROP-2-EN- 1-OL DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed
EP-1921069-A1 Process for preparing 2-alkyl-3-heterocyclyl-prop-2-en-1-ols Speedel Experimenta AG (CH) 2008-05-14 EP disclosed
EP-1921069-A1 Process for preparing 2-alkyl-3-heterocyclyl-prop-2-en-1-ols Speedel Experimenta AG (CH) 2008-05-14 EP disclosed
WO-2007085651-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF ALCOHOLS FROM ALPHA, BETA- INSATURATED COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-08-02 WO disclosed
WO-2007085651-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF ALCOHOLS FROM ALPHA, BETA- INSATURATED COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-08-02 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 (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-20090088576-A1 Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds ADH1C, ADH1A, EBP REN 219/4885KMO 2953/4885ADORA2A 3994/4885

“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.