SCHEMBL4028358

SCHEMBL4028358

COCOc1ccc(OCc2ccccc2)c(CBr)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.47
CCR5 P51681 1/20 0.46
MTNR1A P48039 3/20 0.46
MTNR1B P49286 2/20 0.46
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
MAOB P27338 3/20 0.44
ALOX5 P09917 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL28330023 0.88 ALOX5 (0.54) ABCB1CCR5ALDH1A1RAB9AHTR1A
SCHEMBL4032308 0.86 ELANE (0.49) ABCB1MTNR1AMTNR1BHTR1ADRD2
SCHEMBL3219429 0.84 MAOB (0.55) ABCB1ALDH1A1MAOBALOX5
SCHEMBL7606123 0.83 MAOB (0.50) ABCB1RAB9AHTR1ADRD2MAOB
SCHEMBL4029644 0.83 MAOB (0.48) ABCB1MTNR1AMTNR1BRAB9AHTR1A
SCHEMBL27338427 0.78 PTGER1 (0.56) ABCB1CCR5ALDH1A1RAB9AHTR1A
SCHEMBL28085577 0.77 MAOB (0.46) ABCB1HTR1ADRD2MAOBALOX5
SCHEMBL4030463 0.77 TUBB1 (0.53) ALDH1A1RAB9AMAOBALOX5
SCHEMBL561347 0.76 CCR5 (0.68) CCR5ALDH1A1RAB9AMAOB
SCHEMBL30353418 0.76 CCR5 (0.68) CCR5ALDH1A1RAB9AMAOB

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 ABCB1 2959/4885CCR5 3274/4885MTNR1A 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.