SCHEMBL709246

SCHEMBL709246

COc1cc(C(=O)CCCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
SCN5A Q14524 1/20 0.56
SCN2A Q99250 1/20 0.56
PDE4D Q08499 2/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL969334 0.96 TDP1 (0.59) TDP1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL8549825 0.86 HPGD (0.61) TDP1LMNAL3MBTL1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8548328 0.85 HPGD (0.60) TDP1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL972713 0.84 LPAR1 (0.58) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL708387 0.83 LMNA (0.58) TDP1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL7373375 0.83 TRPV1 (0.62) TDP1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL7823257 0.82 ALDH1A1 (0.61) TDP1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL6819817 0.82 KMT2A (0.62) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL8549831 0.81 LMNA (0.53) TDP1LMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL6628602 0.80 POLB (0.61) L3MBTL1HTTSMN1; SMN2SCN2APDE4B

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 TDP1 3025/4885LMNA 1108/4885L3MBTL1 1960/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 TDP1 3025/4885LMNA 1108/4885L3MBTL1 1960/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 TDP1 3025/4885LMNA 1108/4885L3MBTL1 1960/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 TDP1 3025/4885LMNA 1108/4885L3MBTL1 1960/4885

“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.