SCHEMBL708142

SCHEMBL708142

COC(=O)c1ccccc1Oc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SLC6A3 Q01959 1/20 0.49
TTR P02766 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTNNB1 P35222 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13599494 0.84 CTNNB1 (0.47) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6498363 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2540179 0.84 CTNNB1 (0.62) SMN1; SMN2MAPTMEN1KMT2ASLC6A3
SCHEMBL432 0.83 MEN1 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL27850308 0.83 SLC6A3 (0.64) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HPGD
SCHEMBL707315 0.83 CTNNB1 (0.53) ALDH1A1SMN1; SMN2CYP2C9MAPTHPGD
SCHEMBL8782253 0.83 SLC6A3 (0.61) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6690115 0.82 CTNNB1 (0.61) SMN1; SMN2MAPTMEN1KMT2ASLC6A3
SCHEMBL15897488 0.81 SLC6A3 (0.60) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11421571 0.81 SLC6A3 (0.55) SMN1; SMN2MAPTMEN1KMT2ASLC6A3

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 2593/4885SMN1; SMN2 92/4885CYP1A2 3432/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 ALDH1A1 2593/4885SMN1; SMN2 92/4885CYP1A2 3432/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 ALDH1A1 2593/4885SMN1; SMN2 92/4885CYP1A2 3432/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 ALDH1A1 2593/4885SMN1; SMN2 92/4885CYP1A2 3432/4885

“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.