SCHEMBL826072

SCHEMBL826072

O=C(O)CCOc1[c]cccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 4/20 0.39
KEAP1 Q14145 1/20 0.38
PPARA Q07869 2/20 0.38
TSHR P16473 2/20 0.38
MMP2 P08253 1/20 0.38
RECQL P46063 1/20 0.38
ALOX15 P16050 1/20 0.37
NR4A2 P43354 1/20 0.37
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL16390799 0.91 PPARA (0.44) LMNAFFAR1PPARATSHRALDH1A1
SCHEMBL6913802 0.90 PPARA (0.50) FFAR1PPARAALDH1A1
SCHEMBL902241 0.81 ALOX15 (0.53) LMNAL3MBTL1FFAR1ALOX15ALDH1A1
SCHEMBL6238419 0.80 JAK2 (0.33) LMNARECQLALDH1A1
SCHEMBL3127319 0.80 PDK2 (0.41) LMNANR4A2LTA4HALDH1A1
SCHEMBL3120409 0.78 LMNA (0.44) LMNATSHRRECQLALOX15ALDH1A1
SCHEMBL348920 0.77 ALDH1A1 (0.48) RECQLALDH1A1CYP3A4
SCHEMBL6721192 0.77
SCHEMBL2008537 0.77 KCNH2 (0.32) RECQLALDH1A1
SCHEMBL16390865 0.77 MAPT (0.44) LMNATSHRLTA4HALDH1A1CYP1A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154969-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-10-09 EP claimed
US-10221197-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-05 US claimed
EP-3154969-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2017-04-19 EP claimed
WO-2015191745-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 WO claimed
EP-2350022-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP claimed
US-8143422-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US claimed
EP-2350022-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP claimed
WO-2010043513-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-22 WO claimed
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-04-15 US claimed
EP-1246828-B1 BENZOSULFONES WITH CALCIUM ANTAGONIST ACTIVITY ORTHO MCNEIL PHARM INC (US) 2005-12-07 EP claimed
EP-3154969-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-10-09 EP disclosed
US-10221197-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-05 US disclosed
EP-3154969-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2017-04-19 EP disclosed
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
WO-2015191745-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 WO disclosed
EP-2350022-B1 NEW BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8143422-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2350022-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
WO-2010043513-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-22 WO disclosed
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-04-15 US 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 (3 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-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD LMNA 876/4885L3MBTL1 3335/4885FFAR1 3007/4885
US-20100093818-A1 BENZIMIDAZOLE DERIVATIVES CYP2B6, CYP3A4, CYP2C19 LMNA 3594/4885L3MBTL1 2263/4885FFAR1 734/4885
US-10221197-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PIK3CD LMNA 876/4885L3MBTL1 3335/4885FFAR1 3007/4885

“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.