SCHEMBL708144

SCHEMBL708144

COc1cc(C(=O)C(Cc2ccc(Oc3ccccc3C(=O)OCc3ccccc3)cc2)C(=O)CCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.49
FFAR1 O14842 2/20 0.41
KMT2A Q03164 4/20 0.40
HTT P42858 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE7B Q9NP56 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL706188 0.90 LPAR1 (0.60) LPAR1FFAR1KMT2AHTTLPAR3
SCHEMBL27779240 0.82 TUBB1 (0.47) LPAR1KMT2AHTTTUBB1MEN1
SCHEMBL709015 0.78 LPAR1 (0.53) LPAR1FFAR1KMT2AHTTLPAR3
SCHEMBL968828 0.77 LPAR1 (0.58) LPAR1KMT2AHTTLPAR3TUBB1
SCHEMBL709264 0.76 LPAR1 (0.61) LPAR1KMT2AHTTLPAR3TUBB1
SCHEMBL708137 0.74 LPAR1 (0.65) LPAR1HTTLPAR3TUBB1TDP1
SCHEMBL13701209 0.70 HTT (0.67) KMT2AHTTPDE4BPDE4DPDE7A
SCHEMBL27462412 0.70 SMN1; SMN2 (0.66) KMT2AHTTMEN1ALDH1A1CYP3A4
SCHEMBL15728729 0.70 HTT (0.53) KMT2AHTTPDE4BPDE4DPDE7A
SCHEMBL10930452 0.69 ALDH1A1 (0.58) KMT2AHTTMEN1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US claimed
EP-2046311-A2 DIOXO-ALKANES AND DIOXO-ALKENES Phytopharm Plc (GB) 2009-04-15 EP claimed
US-20080045591-A1 Chemical Compounds VECTURA LIMITED (GB) 2008-02-21 US claimed
WO-2008003978-A2 DIOXO-ALKANES AND DIOXO-ALKENES PHYTOPHARM PLC (GB) 2008-01-10 WO claimed
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US disclosed
EP-2046311-A2 DIOXO-ALKANES AND DIOXO-ALKENES Phytopharm Plc (GB) 2009-04-15 EP disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20080045591-A1 Chemical Compounds VECTURA LIMITED (GB) 2008-02-21 US disclosed
WO-2008003978-A2 DIOXO-ALKANES AND DIOXO-ALKENES PHYTOPHARM PLC (GB) 2008-01-10 WO disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP 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 (5 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR1 13/4885KMT2A 933/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR1 13/4885KMT2A 933/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR1 13/4885KMT2A 933/4885
US-20080045591-A1 Chemical Compounds CYP11B1, CYP11B2, CYP2S1 LPAR1 1812/4885FFAR1 1155/4885KMT2A 3581/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR1 13/4885KMT2A 933/4885

“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.