SCHEMBL707627

SCHEMBL707627

O=C(O)c1ccccc1Oc1ccc(CBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
HTT P42858 3/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LPAR1 Q92633 3/20 0.46
LPAR3 Q9UBY5 1/20 0.46
KMT2A Q03164 2/20 0.46
PTK2B Q14289 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
SRD5A2 P31213 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL28411450 0.86 CTNNB1 (0.66) CTNNB1HTTALDH1A1HPGDGAA
SCHEMBL9719961 0.84 HTT (0.54) CTNNB1HTTALDH1A1HPGDGAA
SCHEMBL8641931 0.84 SRD5A2 (0.58) CTNNB1HTTALDH1A1HPGDGAA
SCHEMBL639 0.83 KMT2A (0.55) HTTALDH1A1HPGDGAAATM
SCHEMBL709808 0.83 ALDH1A1 (0.54) CTNNB1HTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9252102 0.83 CTNNB1 (0.67) CTNNB1HTTALDH1A1HPGDL3MBTL1
SCHEMBL1798 0.82 CTNNB1 (0.71) CTNNB1HTTALDH1A1HPGDL3MBTL1
SCHEMBL7921365 0.81 CTNNB1 (0.56) CTNNB1HTTALDH1A1HPGDL3MBTL1
Bicarbonate SCHEMBL236889 0.81 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDL3MBTL1
SCHEMBL8496446 0.81 CTNNB1 (0.69) CTNNB1HTTALDH1A1HPGDL3MBTL1

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-1553449-B1 ACTIVE ENERGY RAY SENSITIVE RESIN COMPOSITION, ACTIVE ENERGY RAY SENSITIVE RESIN FILM AND METHOD FOR FORMING PATTERN USING SAID FILM MURAKAMI CO LTD (JP) 2016-01-20 EP disclosed
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 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-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
US-20050227166-A1 Active energy ray sensitive resin composition, active energy ray sensitive resin film and method for forming pattern using said film MURAKAMI CO., LTD. (JP) 2005-10-13 US disclosed
EP-1553449-A1 ACTIVE ENERGY RAY SENSITIVE RESIN COMPOSITION, ACTIVE ENERGY RAY SENSITIVE RESIN FILM AND METHOD FOR FORMING PATTERN USING SAID FILM Murakami Co., Ltd. (JP) 2005-07-13 EP 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 (4 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 CTNNB1 2960/4885HTT 2649/4885ALDH1A1 2593/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CTNNB1 2960/4885HTT 2649/4885ALDH1A1 2593/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 CTNNB1 2960/4885HTT 2649/4885ALDH1A1 2593/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 CTNNB1 2960/4885HTT 2649/4885ALDH1A1 2593/4885

“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.