SCHEMBL4031129

SCHEMBL4031129

CCOc1ccc(OCc2ccccc2)c(/C=C/C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
LMNA P02545 1/20 0.65
LTB4R Q15722 2/20 0.63
LTB4R2 Q9NPC1 2/20 0.63
PTGER3 P43115 6/20 0.62
PTGER4 P35408 6/20 0.62
PTGER2 P43116 6/20 0.62
PTGER1 P34995 4/20 0.62
PTGDR Q13258 1/20 0.55
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
PLA2G2D Q9UNK4 1/20 0.51
PPARG P37231 1/20 0.50
AKR1C3 P42330 1/20 0.48

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
SCHEMBL4031132 1.00 KDM4E (0.65) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL4029676 0.95 KDM4E (0.65) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL4029671 0.95 KDM4E (0.65) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL344657 0.92 PTGER3 (0.68) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL344658 0.92 PTGER3 (0.68) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL6036139 0.89 HDAC8 (0.65) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL6036142 0.89 HDAC8 (0.65) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL4032216 0.83 TUBB1 (0.52) KDM4ELMNAPKMSMN1; SMN2PPARG
SCHEMBL344776 0.83 PTGER4 (0.70) KDM4ELMNALTB4RLTB4R2PTGER3
SCHEMBL344775 0.83 PTGER4 (0.70) KDM4ELMNALTB4RLTB4R2PTGER3

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 KDM4E 570/4885LMNA 1867/4885LTB4R 321/4885

“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.