SCHEMBL709808

SCHEMBL709808

O=C(OCc1ccccc1)c1ccccc1Oc1ccc(CBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
CTNNB1 P35222 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 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
SCHEMBL27462412 0.89 SMN1; SMN2 (0.66) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL5836722 0.86 HTT (0.57) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL10930452 0.85 ALDH1A1 (0.58) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL707627 0.83 CTNNB1 (0.51) ALDH1A1TDP1TSHRL3MBTL1SMN1; SMN2
SCHEMBL639 0.82 KMT2A (0.55) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KMT2A
SCHEMBL9178840 0.81 ALDH1A1 (0.56) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL9574717 0.78 HTT (0.73) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL2112521 0.77 HTT (0.63) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL6167480 0.77 NR4A2 (0.59) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL4415350 0.76 HTT (0.75) ALDH1A1TDP1TSHRL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 2593/4885TDP1 3025/4885TSHR 1995/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 ALDH1A1 2593/4885TDP1 3025/4885TSHR 1995/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 ALDH1A1 2593/4885TDP1 3025/4885TSHR 1995/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 ALDH1A1 2593/4885TDP1 3025/4885TSHR 1995/4885

“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.