SCHEMBL307675

SCHEMBL307675

O=C(O)CC(=O)NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
EPHX1 P07099 7/20 0.61
HPGD P15428 3/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 1/20 0.57
EPHX2 P34913 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL23841258 1.00 ALDH1A1 (0.70) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL16786337 0.93 ALDH1A1 (0.61) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL26660436 0.88 ALDH1A1 (0.54) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL3075216 0.88 EPHX1 (0.68) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4978162 0.86 ALDH1A1 (0.52) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL10078357 0.83 ALDH1A1 (1.00) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL20650992 0.83 ALDH1A1 (1.00) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL22061771 0.83 ALDH1A1 (1.00) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL5326659 0.83 ALDH1A1 (1.00) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2
SCHEMBL23419601 0.83 ALDH1A1 (1.00) ALDH1A1EPHX1HPGDKMT2ASMN1; SMN2

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-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
EP-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 ALDH1A1 1649/4885EPHX1 2528/4885HPGD 2268/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR ALDH1A1 411/4885EPHX1 1955/4885HPGD 680/4885

“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.