SCHEMBL4035498

SCHEMBL4035498

COc1ccc(CO)cc1OCc1nc(-c2ccccc2)oc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
SMPD1 P17405 3/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
FFAR1 O14842 1/20 0.41
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4034982 0.89 KDR (0.67) KDRLMNASMN1; SMN2SMPD1MAPT
SCHEMBL4038141 0.84 KDR (0.67) KDRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5382506 0.79 KDR (0.66) KDRLMNASMN1; SMN2MAPTKDM4E
SCHEMBL4034512 0.78 KDR (0.53) KDRLMNASMN1; SMN2SMPD1MAPT
SCHEMBL6156801 0.76 KDR (0.65) KDRMAPTPOLBKDM4EFFAR1
SCHEMBL3239903 0.75 BCHE (0.60) LMNASMN1; SMN2SMPD1ALDH1A1HSD17B10
SCHEMBL31361425 0.75 BCHE (0.60) LMNASMN1; SMN2SMPD1ALDH1A1HSD17B10
SCHEMBL4850608 0.74 KDR (0.53) KDRLMNASMN1; SMN2SMPD1ALDH1A1
SCHEMBL4846802 0.74 KDR (0.53) KDRSMN1; SMN2MAPTPOLBKDM4E
SCHEMBL1731684 0.73 KDR (0.53) KDRLMNASMN1; SMN2ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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 (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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK KDR 1328/4885LMNA 1867/4885SMN1; SMN2 4458/4885

“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.