SCHEMBL3883009

SCHEMBL3883009

CCn1cc2cc(-c3cc(CCC(=O)OC)ccc3OC3CCCC3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
S1PR1 P21453 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PDE4B Q07343 7/20 0.35
PDE4A P27815 6/20 0.35
PDE4C Q08493 6/20 0.35
PDE4D Q08499 6/20 0.35
PTPN1 P18031 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MLLT1 Q03111 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
P2RY12 Q9H244 2/20 0.34

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
SCHEMBL3881992 0.91 FFAR4 (0.45) HDAC1HDAC2S1PR1FFAR4PDE4B
SCHEMBL3889227 0.90 HRH3 (0.41) HDAC1HDAC2HRH3S1PR1FFAR4
SCHEMBL3881678 0.89 HRH3 (0.40) HDAC1HDAC2HRH3S1PR1FFAR4
SCHEMBL3882431 0.83 ADRB1 (0.36) S1PR1PDE4BPDE4APDE4CPDE4D
SCHEMBL3881978 0.82 HRH3 (0.41) HDAC1HDAC2HRH3S1PR1FFAR4
SCHEMBL3887696 0.81 HDAC1 (0.40) HDAC1HDAC2HRH3S1PR1FFAR4
SCHEMBL3882719 0.81 CACNA1H (0.39) HDAC1HDAC2HRH3S1PR1FFAR4
SCHEMBL3684452 0.81 CCNC (0.49) HDAC1HDAC2HRH3FFAR4PDE4B
SCHEMBL3881161 0.80 FFAR4 (0.46) HDAC1HDAC2HRH3S1PR1FFAR4
SCHEMBL3882098 0.80 FAAH (0.40) HDAC1HDAC2HRH3FFAR4PDE4B

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 HDAC1 859/4885HDAC2 861/4885HRH3 533/4885

“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.