SCHEMBL4035111

SCHEMBL4035111

CCOC(=O)CCc1cc(O)ccc1OCC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.47
EGFR P00533 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 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
SCHEMBL4034507 0.88 CYP4F2 (0.50) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL6035879 0.88 CYP4F2 (0.50) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL18512351 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL4521152 0.83 CYP4F2 (0.58) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL16318981 0.83 CYP4F2 (0.54) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL490901 0.83 EGFR (0.56) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL3922765 0.81 ESR1 (0.50) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL3914242 0.81 CYP4F2 (0.55) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL3740782 0.81 CYP4F2 (0.51) ALDH1A1KDM4EHPGDCYP4F2CYP4A11
SCHEMBL19837892 0.81 CYP4F2 (0.51) ALDH1A1KDM4EHPGDCYP4F2CYP4A11

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 ALDH1A1 176/4885KDM4E 570/4885HPGD 1893/4885

“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.