SCHEMBL4032308

SCHEMBL4032308

COCOc1ccc(OCc2ccccc2)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.49
CTSG P08311 1/20 0.49
MTNR1A P48039 3/20 0.48
MTNR1B P49286 2/20 0.48
F2 P00734 1/20 0.48
ABCB1 P08183 4/20 0.47
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
MAOB P27338 1/20 0.44
C5AR1 P21730 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL30211932 0.87 MTNR1A (0.60) ELANECTSGMTNR1AMTNR1BF2
SCHEMBL25591930 0.87 MTNR1A (0.60) ELANECTSGMTNR1AMTNR1BF2
SCHEMBL4028358 0.86 ABCB1 (0.47) MTNR1AMTNR1BABCB1HTR1ADRD2
SCHEMBL7273091 0.84 MAOB (0.55) ELANECTSGMAOBALOX5
SCHEMBL4029644 0.83 MAOB (0.48) MTNR1AMTNR1BABCB1HTR1ADRD2
SCHEMBL7606123 0.80 MAOB (0.50) ABCB1HTR1ADRD2MAOBALOX5
SCHEMBL6212452 0.78 PTGER1 (0.60) ELANECTSGF2HTR1ADRD2
SCHEMBL1961045 0.78 MAOB (0.49) ELANECTSGF2MAOB
SCHEMBL1587678 0.78 USP28 (0.50) ELANECTSGMTNR1AMTNR1BF2
SCHEMBL8757373 0.77 ELANE (0.71) ELANECTSGF2HTR1ADRD2

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 ELANE 4078/4885CTSG 4591/4885MTNR1A 1045/4885

“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.