SCHEMBL4031766

SCHEMBL4031766

CCOc1ccc(O)c(CC(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.51
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 2/20 0.46
RECQL P46063 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.43
FADS1 O60427 1/20 0.43
GLA P06280 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
LMNA P02545 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
SCHEMBL4034916 0.85 MTNR1A (0.56) EGFRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL8402260 0.85 EGFR (0.49) EGFRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL16930305 0.83 HTT (0.44) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL15553330 0.81 NQO1 (0.50) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL27854636 0.80 HTT (0.44) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL3545527 0.78 EGFR (0.75) EGFRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL30605142 0.78 EGFR (0.75) EGFRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL21437884 0.78 EGFR (0.54) EGFRALDH1A1MAPTHSD17B10KDM4E
SCHEMBL8978122 0.78 NQO1 (0.50) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL28632798 0.77 LTA4H (0.47) ALDH1A1MAPTHSD17B10KDM4EHPGD

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 EGFR 1574/4885ALDH1A1 176/4885MAPT 4719/4885

“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.