SCHEMBL5362646

SCHEMBL5362646

COC(=O)[C@H](CC=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.46
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL5362651 1.00 KCNQ2 (0.46) KCNQ2LDHALDHBTP53SMN1; SMN2
SCHEMBL20826432 0.78 L3MBTL1 (0.54) SMN1; SMN2ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL10388122 0.78 ESR1 (0.64) KMT2AL3MBTL1ESR1ESR2
SCHEMBL27610226 0.78 ESR1 (0.47) HPGDMAPTALDH1A1NPSR1KMT2A
SCHEMBL5372320 0.78 KCNQ2 (0.43) KCNQ2ALDH1A1KMT2AMEN1GAA
SCHEMBL5372317 0.78 KCNQ2 (0.43) KCNQ2ALDH1A1KMT2AMEN1GAA
SCHEMBL6784455 0.77 HIF1A (0.54) TP53SMN1; SMN2HPGDMAPTALDH1A1
SCHEMBL631468 0.77 ESR1 (0.46) LDHALDHBMAPTALDH1A1KMT2A
SCHEMBL20826234 0.77 L3MBTL1 (0.57) LDHALDHBCNR2KMT2AL3MBTL1
SCHEMBL3168058 0.76 KMT2A (0.59) ALDH1A1KMT2AMEN1GAACYP2C19

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-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
EP-1412335-A4 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-11-17 EP disclosed
US-6784323-B2 Enantioselective transformation of α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-08-31 US disclosed
EP-1412335-A2 ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-04-28 EP disclosed
US-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-12-25 US disclosed
US-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-06-12 US disclosed
WO-2003002491-A2 ENANTIOSELECTIVE TRANSFORMATION OF α, β-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-01-09 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-20030109718-A1 Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts ALDH1A1, GAR1, ALDH1B1 KCNQ2 3108/4885LDHA 1819/4885LDHB 2322/4885
US-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts NAT1, AOX1, ALDH7A1 KCNQ2 4401/4885LDHA 1357/4885LDHB 1973/4885

“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.