SCHEMBL4137634

SCHEMBL4137634

CCOC(CC(N)=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28746748 0.89 ALOX15 (0.36) ALOX15THRBL3MBTL1
SCHEMBL27935389 0.79 CA1 (0.34) ALOX15
SCHEMBL28698674 0.78
SCHEMBL1878811 0.77 ALDH1A1 (0.43) ALOX15THRBLMNAALDH1A1KMT2A
SCHEMBL202165 0.77 SLC22A6 (0.39) ALOX15THRBLMNAALDH1A1
SCHEMBL2874716 0.77 ALDH1A1 (0.43) ALOX15THRBLMNAALDH1A1KMT2A
SCHEMBL2844179 0.76 KMT2A (0.41) ALOX15THRBLMNAMEN1CYP1A2
SCHEMBL10487113 0.76 ALOX15 (0.33) ALOX15LMNAMEN1KMT2AHSD17B10
SCHEMBL21081924 0.75 ALDH1A1 (0.40) THRBLMNAALDH1A1EPHX1HSD17B10
SCHEMBL4483900 0.75 TDP1 (0.43) THRBLMNAALDH1A1EPHX1HSD17B10

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
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
CN-102633680-B Catalyst for preparing 3,3-diethoxyl propionitrile and preparation method of catalyst UNIV LANGZHOU 2014-06-11 CN disclosed
CN-102295578-B Synthetic method of 3,3-diethoxypropionitrile GANSU RES INST OF CHEMICAL INDUSTRY 2014-04-02 CN disclosed
CN-102295578-A Synthetic method of 3,3-diethoxypropionitrile 2011-12-28 CN disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO disclosed
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0040896-B1 SYNTHESIS OF AMIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-25 EP disclosed
EP-0040896-A2 Synthesis of amides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG ALOX15 1840/4885THRB 96/4885LMNA 4758/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG ALOX15 1840/4885THRB 96/4885LMNA 4758/4885

“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.