SCHEMBL3887696

SCHEMBL3887696

COC(=O)CCc1ccc(OC2CCCC2)c(-c2ccc3nscc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
S1PR1 P21453 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDE4A P27815 7/20 0.37
PDE4B Q07343 7/20 0.37
PDE4C Q08493 7/20 0.37
PDE4D Q08499 7/20 0.37
PTPN1 P18031 2/20 0.37
POLQ O75417 1/20 0.36
P2RX3 P56373 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL3885129 0.90 FFAR4 (0.48) HDAC1HDAC2S1PR1FFAR4PDE4A
SCHEMBL3889227 0.83 HRH3 (0.41) HDAC1HDAC2S1PR1FFAR4HRH3
SCHEMBL3684452 0.83 CCNC (0.49) HDAC1HDAC2FFAR4MEN1KMT2A
SCHEMBL3881678 0.82 HRH3 (0.40) HDAC1HDAC2S1PR1FFAR4MEN1
SCHEMBL3886842 0.82 CCNC (0.48) HDAC1HDAC2FFAR4MEN1KMT2A
SCHEMBL3883750 0.82 S1PR1 (0.42) HDAC1HDAC2S1PR1FFAR4MEN1
SCHEMBL3890185 0.82 TPH1 (0.37) S1PR1FFAR4PDE4APDE4BPDE4C
SCHEMBL3883009 0.81 HDAC1 (0.38) HDAC1HDAC2S1PR1FFAR4HRH3
SCHEMBL3883470 0.81 CCNC (0.50) HDAC1HDAC2FFAR4PDE4APDE4B
SCHEMBL3679980 0.81 MAPK14 (0.43) HDAC1HDAC2S1PR1FFAR4HRH3

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 8 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
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
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 861/4885S1PR1 77/4885

“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.