SCHEMBL4029644

SCHEMBL4029644

COCOc1ccc(OCc2ccccc2)c(CC#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
ABCB1 P08183 4/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 2/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATP4A P20648 1/20 0.40
MAPK1 P28482 1/20 0.40
ATP4B P51164 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL11864537 0.88 ABCB1 (0.54) MAOBABCB1MTNR1AMTNR1BHTR1A
SCHEMBL6035496 0.85 MAOB (0.55) MAOBNPC1MAPTTSHRRAB9A
SCHEMBL6583220 0.84 ABCB1 (0.54) MAOBABCB1HTR1ADRD2
SCHEMBL4032308 0.83 ELANE (0.49) MAOBABCB1MTNR1AMTNR1BHTR1A
SCHEMBL4028358 0.83 ABCB1 (0.47) MAOBABCB1MTNR1AMTNR1BRAB9A
SCHEMBL4034555 0.80 FFAR1 (0.50) MAPTRAB9AMEN1CYP2C9KMT2A
SCHEMBL3819411 0.78 MAOB (0.55) MAOBMAPTRAB9ACYP1A2HDAC6
SCHEMBL1097701 0.77 MAOB (0.51) MAOBMAPT
SCHEMBL6035647 0.77 MAOB (0.51) MAOBABCB1MTNR1AMTNR1BHTR1A
SCHEMBL1668610 0.77 CCR5 (0.58) RAB9ACYP1A2

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 MAOB 799/4885ABCB1 2959/4885MTNR1A 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.