SCHEMBL4254607

SCHEMBL4254607

CCOC(=O)/C(=C/c1ccc2c(C)nn(CCCOC)c2c1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.45
KMO O15229 1/20 0.38
NR3C1 P04150 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 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 0.89 REN (0.47) RENKMOSLC22A12
SCHEMBL4253933 0.82 REN (0.45) RENKMOSLC22A12ADORA2AADORA2B
SCHEMBL4249553 0.78 REN (0.45) RENKMONR3C1SLC22A12ADORA2A
SCHEMBL4257515 0.77 REN (0.52) RENKMOSLC22A12
SCHEMBL13448565 0.76 REN (0.45) RENKMONR3C1SLC22A12ADORA2A
SCHEMBL78153 0.72 REN (0.55) RENKMOSLC22A12ADORA2AADORA2B
SCHEMBL2807350 0.71 REN (0.48) RENKMONR3C1SLC22A12ALDH1A1
SCHEMBL91359 0.71 REN (0.46) RENKMONR3C1SLC22A12ADORA2A
SCHEMBL13131423 0.71 ADORA2A (0.44) RENKMOSLC22A12ADORA2AADORA2B
SCHEMBL14144408 0.70 REN (0.47) RENKMOSLC22A12

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 9 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
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 2953/4885NR3C1 971/4885

“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.