SCHEMBL4031868

SCHEMBL4031868

COCOc1ccc(O)c(CC#N)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ADRB3 P13945 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
FYN P06241 2/20 0.32

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
SCHEMBL11843888 0.83 MTNR1A (0.47) MTNR1AMTNR1BLMNAGAACA1
SCHEMBL334710 0.81 L3MBTL1 (0.38) GAA
SCHEMBL3905575 0.78 APLNR (0.42) LMNAGAACA1CA2FYN
SCHEMBL4029644 0.74 MAOB (0.48) MTNR1AMTNR1B
SCHEMBL6903199 0.73 MEN1 (0.42)
SCHEMBL1607321 0.73 BACE1 (0.46) BACE1GAAFYN
SCHEMBL6656162 0.73 PKM (0.44) GAA
SCHEMBL15463264 0.72 APLNR (0.42) BACE1CA1CA2
SCHEMBL1958623 0.71 TSHR (0.42) BACE1LMNACA1CA2FYN
SCHEMBL3067521 0.71 AMY1A (0.53) LMNAGAA

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 BACE1 1391/4885MTNR1A 1045/4885MTNR1B 835/4885

“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.