SCHEMBL4032216

SCHEMBL4032216

CCOc1ccc(OCc2ccccc2)c(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.52
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
PSEN1 P49768 2/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
ERN1 O75460 3/20 0.46

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
SCHEMBL4033099 0.94 TUBB1 (0.56) TUBB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL3615463 0.91 MAOB (0.58) TUBB1CCNB2CDK1CDK4CCNB1
SCHEMBL2573994 0.87 TUBB1 (0.57) TUBB1HTR1ACCNB2CDK1CDK4
SCHEMBL4030463 0.86 TUBB1 (0.53) TUBB1CCNB2CDK1CDK4CCNB1
SCHEMBL271557 0.85 LMNA (0.51) TUBB1KDM4ELMNAERN1MAPT
SCHEMBL9694724 0.84 CCNB2 (0.50) TUBB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL6035502 0.84 TUBB1 (0.72) TUBB1MAOAMAOBLMNAALOX5
SCHEMBL7608727 0.84 CCNB2 (0.50) TUBB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7143453 0.83 PTGES (0.49) TUBB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL6409166 0.83 BCHE (0.51) TUBB1CCNB2CDK1CDK4CCNB1

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 4760/4885HTR1A 1288/4885ADRA1D 492/4885

“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.