SCHEMBL2725955

SCHEMBL2725955

CC(=O)c1c(C)cc(O)c(C/C=C(\C)CCC=C(C)C)c1O

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.81
▸ BACE1 P56817 3/20 0.81
▸ PTPN1 P18031 2/20 0.81
▸ PTGES O14684 2/20 0.81
▸ ALOX5 P09917 2/20 0.81
▸ PTGS1 P23219 1/20 0.81
▸ PTGS2 P35354 1/20 0.81
▸ MAOB P27338 6/20 0.65
▸ SLC6A3 Q01959 1/20 0.58
▸ TRPM7 Q96QT4 1/20 0.58
▸ DAGLA Q9Y4D2 1/20 0.58
▸ CTSL P07711 1/20 0.58
▸ MGAM O43451 1/20 0.57
▸ CNR2 P34972 1/20 0.57
▸ DHODH Q02127 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
SCHEMBL29770918 0.91 APP (0.97) APPBACE1PTPN1PTGESALOX5
SCHEMBL15363878 0.91 APP (0.97) APPBACE1PTPN1PTGESALOX5
SCHEMBL15363875 0.91 APP (0.97) APPBACE1PTPN1PTGESALOX5
SCHEMBL21710543 0.91 APP (0.97) APPBACE1PTPN1PTGESALOX5
Grifolic Acid SCHEMBL20819669 0.90 APP (1.00) APPBACE1PTPN1PTGESALOX5
Grifolic Acid SCHEMBL12180037 0.90 APP (1.00) APPBACE1PTPN1PTGESALOX5
SCHEMBL29495886 0.89 ALOX5 (1.00) APPBACE1PTPN1PTGESALOX5
SCHEMBL15375169 0.88 APP (0.74) APPBACE1PTPN1PTGESALOX5
SCHEMBL26256560 0.87 APP (0.73) APPBACE1PTPN1PTGESALOX5
SCHEMBL23451182 0.86 APP (0.71) APPBACE1PTPN1PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857010-B1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR INST OF MITOCHONDRIA SCIENCE INC (JP) 2018-07-04 — — EP disclosed
EP-2857010-B1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR INST OF MITOCHONDRIA SCIENCE INC (JP) 2018-07-04 — — EP disclosed
US-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 — — US disclosed
US-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 — — US disclosed
US-9737504-B2 Dihydroorotic and acid dehydrogenase inhibitor INSTITUTE OF MITOCHONDRIA SCIENCE, INC. (JP) 2017-08-22 — — US disclosed
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR NAI INC. 2016-10-13 — — US disclosed
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR NAI INC. 2016-10-13 — — US disclosed
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR NAI INC. 2016-10-13 — — US disclosed
US-9440913-B2 Dihydroxybenzene derivatives and antiprotozoal agent comprising same as active ingredient NAI INC. (JP) 2016-09-13 — — US disclosed
US-9440913-B2 Dihydroxybenzene derivatives and antiprotozoal agent comprising same as active ingredient NAI INC. (JP) 2016-09-13 — — US disclosed
US-20150166498-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI INC. (JP) 2015-06-18 — — US disclosed
EP-2857010-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI Inc. (JP) 2015-04-08 — — EP disclosed
EP-2857010-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR NAI Inc. (JP) 2015-04-08 — — EP disclosed
WO-2013180140-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR エヌエーアイ株式会社 (JP) 2013-12-05 — — WO disclosed
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient ARIGEN PHARMACEUTICALS, INC. (JP) 2013-11-07 — — US disclosed
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient ARIGEN PHARMACEUTICALS, INC. (JP) 2013-11-07 — — US disclosed
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient ARIGEN PHARMACEUTICALS, INC. (JP) 2013-11-07 — — US disclosed
EP-2636663-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT aRigen Pharmaceuticals, Inc. (JP) 2013-09-11 — — EP disclosed
EP-2636663-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT aRigen Pharmaceuticals, Inc. (JP) 2013-09-11 — — EP disclosed
WO-2012060387-A1 NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT アリジェン製薬株式会社 (JP) 2012-05-10 — — WO 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-20150166498-A1 DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD APP 4801/4885BACE1 4518/4885PTPN1 569/4885
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient CBR3, CBR1, DHX35 APP 4666/4885BACE1 4663/4885PTPN1 2087/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD APP 4823/4885BACE1 4510/4885PTPN1 816/4885

“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.

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