SCHEMBL4812907

SCHEMBL4812907

CCC1(CO)COC(c2ccccc2)OC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.44
SOAT1 P35610 1/20 0.44
KCNA4 P22459 1/20 0.43
KCNA1 Q09470 1/20 0.43
KCNAB1 Q14722 1/20 0.43
BRD4 O60885 1/20 0.41
MAPK1 P28482 1/20 0.39
KDM1A O60341 7/20 0.38
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1333408 0.91 SOAT1 (0.46) MEN1CYP2C19KMT2AALDH1A1SOAT1
SCHEMBL744431 0.90 MEN1 (0.62) MEN1CYP2C19KMT2AALDH1A1SOAT1
SCHEMBL10158721 0.83 MEN1 (0.58) MEN1CYP2C19KMT2AALDH1A1KCNA4
SCHEMBL10085150 0.82 MEN1 (0.53) MEN1CYP2C19KMT2AALDH1A1SOAT1
SCHEMBL1333747 0.81 MAPK1 (0.41) MEN1CYP2C19KMT2AALDH1A1SOAT1
SCHEMBL13352408 0.81 MEN1 (0.60) MEN1CYP2C19KMT2AALDH1A1SOAT1
SCHEMBL1301510 0.80 MEN1 (0.50) MEN1CYP2C19KMT2AALDH1A1SOAT1
SCHEMBL14491585 0.80 MEN1 (0.47) MEN1CYP2C19KMT2AALDH1A1KCNA4
SCHEMBL14070596 0.80 MEN1 (0.50) MEN1CYP2C19KMT2AALDH1A1SOAT1
SCHEMBL9876533 0.77 MEN1 (0.60) MEN1CYP2C19KMT2AALDH1A1SOAT1

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-7416867-B2 Enzymatic production of (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2008-08-26 US claimed
EP-1599594-B1 ENZYMATIC PRODUCTION OF (METH)ACRYLIC ACID ESTERS BASF AG (DE) 2007-05-30 EP claimed
US-20060141593-A1 Enzymatic production of (meth) acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 US claimed
JP-60099181-A None JP disclosed
US-8859787-B2 Glycol compound having dioxane structure and method for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-10-14 US disclosed
US-20110269976-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND METHOD FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-03 US disclosed
US-7416867-B2 Enzymatic production of (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2008-08-26 US disclosed
EP-1599594-B1 ENZYMATIC PRODUCTION OF (METH)ACRYLIC ACID ESTERS BASF AG (DE) 2007-05-30 EP disclosed
US-20060141593-A1 Enzymatic production of (meth) acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 US disclosed
EP-1599594-A1 ENZYMATIC PRODUCTION OF (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP disclosed
WO-2004076676-A1 ENZYMATIC PRODUCTION OF (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO disclosed
EP-0247472-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES BAYER AG (DE) 1992-02-12 EP disclosed
EP-0247472-A2 Process for the preparation of carboxylic acid derivatives BAYER AG (DE) 1987-12-02 EP disclosed
JP-S6099181-A CURABLE COMPOSITION TOAGOSEI CHEM IND CO LTD 1985-06-03 JP 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-20110269976-A1 GLYCOL COMPOUND HAVING DIOXANE STRUCTURE AND METHOD FOR PRODUCING THE SAME RXRA, RARA, RXRG MEN1 3191/4885CYP2C19 1857/4885KMT2A 2737/4885

“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.