SCHEMBL3682148

SCHEMBL3682148

COC(=O)CCc1ccc(OC2CCCC2)c(-c2ccc(N)c(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
S1PR1 P21453 1/20 0.41
PDE4B Q07343 10/20 0.40
PDE4A P27815 9/20 0.40
PDE4C Q08493 9/20 0.40
PDE4D Q08499 9/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PTPN1 P18031 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL3892069 0.83 THRA (0.40) HDAC1HDAC2PDE4BPDE4APDE4C
SCHEMBL27536403 0.83 PTPN1 (0.54) HDAC1HDAC2PDE4BPDE4APDE4C
SCHEMBL3684452 0.83 CCNC (0.49) HDAC1HDAC2PDE4BPDE4APDE4C
SCHEMBL7735879 0.82 PTPN1 (0.53) HDAC1HDAC2PDE4BPDE4APDE4C
SCHEMBL3886842 0.82 CCNC (0.48) HDAC1HDAC2PDE4BPDE4APDE4C
SCHEMBL3681884 0.81 HRH3 (0.40) HDAC1HDAC2S1PR1PDE4BPDE4A
SCHEMBL3688508 0.80 HDAC1 (0.41) HDAC1HDAC2S1PR1PDE4BPDE4A
SCHEMBL3682542 0.80 HDAC1 (0.40) HDAC1HDAC2S1PR1PDE4BPDE4A
SCHEMBL3883675 0.80 HDAC1 (0.41) HDAC1HDAC2S1PR1PDE4BPDE4A
SCHEMBL3887008 0.80 HRH3 (0.44) HDAC1HDAC2S1PR1PDE4BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO 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 (3 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HDAC1 1426/4885HDAC2 1388/4885S1PR1 430/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HDAC1 1426/4885HDAC2 1388/4885S1PR1 430/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HDAC1 1426/4885HDAC2 1388/4885S1PR1 430/4885

“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.