SCHEMBL4030463

SCHEMBL4030463

COCOc1ccc(OCc2ccccc2)c(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.53
ERN1 O75460 3/20 0.47
MAOB P27338 2/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
MAOA P21397 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PSEN1 P49768 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGES O14684 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
SCHEMBL30660124 0.89 TUBB1 (0.56) TUBB1ERN1NPC1RAB9AMAPT
SCHEMBL1963431 0.89 HDAC8 (0.52) TUBB1ERN1MAOBCCNB2CDK1
SCHEMBL22090540 0.89 TUBB1 (0.56) TUBB1ERN1NPC1RAB9AMAPT
SCHEMBL3615463 0.89 MAOB (0.58) TUBB1ERN1MAOBCCNB2CDK1
SCHEMBL2573994 0.87 TUBB1 (0.57) TUBB1ERN1MAOBCCNB2CDK1
SCHEMBL4032216 0.86 TUBB1 (0.52) TUBB1ERN1MAOBCCNB2CDK1
SCHEMBL16705703 0.85 TUBB1 (0.52) TUBB1ERN1RAB9AMAPTSMN1; SMN2
SCHEMBL6035502 0.85 TUBB1 (0.72) TUBB1ERN1MAOBMAOANPC1
SCHEMBL1445747 0.84 MAOB (0.50) TUBB1ERN1MAOBMAOANPC1
SCHEMBL4033099 0.83 TUBB1 (0.56) TUBB1ERN1MAOBCCNB2CDK1

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 TUBB1 4760/4885ERN1 847/4885MAOB 799/4885

“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.