SCHEMBL3881789

SCHEMBL3881789

COC(=O)CCc1ccc(OCC2CCCC2)c(-c2ccc3occc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 2/20 0.39
HRH3 Q9Y5N1 2/20 0.37
CA12 O43570 1/20 0.36
S1PR1 P21453 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
XDH P47989 1/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SRC P12931 2/20 0.35
PTGER1 P34995 1/20 0.34
GYS1 P13807 1/20 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
SCHEMBL3887170 0.90 THRA (0.46) C5AR1CA12S1PR1THRATHRB
SCHEMBL3883719 0.85 CCNC (0.48) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL3681581 0.84 MEN1 (0.41) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL7725141 0.83 C5AR1 (0.55) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL3686345 0.83 MEN1 (0.40) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL3686084 0.83 C5AR1 (0.41) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL3887753 0.83 MEN1 (0.42) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL7725535 0.83 C5AR1 (0.57) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL3887867 0.83 C5AR1 (0.42) C5AR1MEN1KMT2APTPN1HRH3
SCHEMBL3682347 0.83 MEN1 (0.40) C5AR1MEN1KMT2APTPN1HRH3

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 11 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
EP-1068636-A4 ULTRA-HIGH RESOLUTION LIQUID CRYSTAL DISPLAY ON SILICON-ON-SAPPHIRE SHIMABUKURO RANDY L (US) 2003-08-06 EP disclosed
EP-1068636-A1 ULTRA-HIGH RESOLUTION LIQUID CRYSTAL DISPLAY ON SILICON-ON-SAPPHIRE Shimabukuro, Randy L. (US) 2001-01-17 EP disclosed
WO-1999049503-A1 ULTRA-HIGH RESOLUTION LIQUID CRYSTAL DISPLAY ON SILICON-ON-SAPPHIRE SHIMABUKURO RANDY L (US) 1999-09-30 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 (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 C5AR1 282/4885MEN1 4756/4885KMT2A 2392/4885

“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.