SCHEMBL3881978

SCHEMBL3881978

COC(=O)CCc1ccc(OC2CCCC2)c(-c2ccc3cn(C)nc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
SCD5 Q86SK9 1/20 0.37
PDE4B Q07343 5/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
POLQ O75417 1/20 0.36
PTPN1 P18031 1/20 0.36
IDH1 O75874 3/20 0.35
CTSD P07339 1/20 0.35
WDR5 P61964 1/20 0.35

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
SCHEMBL3889227 0.93 HRH3 (0.41) HRH3HDAC1HDAC2FFAR4PDE4B
SCHEMBL3881678 0.92 HRH3 (0.40) HRH3HDAC1HDAC2FFAR4PDE4B
SCHEMBL3884440 0.91 FFAR4 (0.46) HRH3HDAC1HDAC2FFAR4SCD5
SCHEMBL3881161 0.84 FFAR4 (0.46) HRH3HDAC1HDAC2FFAR4PDE4B
SCHEMBL3885135 0.83 HRH3 (0.41) HRH3HDAC1HDAC2FFAR4SCD5
SCHEMBL3882307 0.83 FFAR4 (0.46) HRH3HDAC1HDAC2FFAR4PDE4B
SCHEMBL3883009 0.82 HDAC1 (0.38) HRH3HDAC1HDAC2FFAR4PDE4B
SCHEMBL3894227 0.82 PDE4B (0.39) HRH3HDAC1HDAC2PDE4BPDE4A
SCHEMBL3881975 0.82 SCD5 (0.39) SCD5PDE4BPDE4APDE4CPDE4D
SCHEMBL3684452 0.82 CCNC (0.49) HRH3HDAC1HDAC2FFAR4PDE4B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN claimed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 HRH3 533/4885HDAC1 859/4885HDAC2 861/4885

“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.