SCHEMBL2730751

SCHEMBL2730751

CC(=O)OC(C)/C(C)=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C(C)=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 9/20 0.52
▸ PTGES O14684 2/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ IMPDH2 P12268 3/20 0.45
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ APP P05067 2/20 0.39
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL15374671 0.90 DHODH (0.54) DHODHIMPDH2
SCHEMBL18128996 0.87 DHODH (0.59) DHODHPTGESALOX5IMPDH2PTGS1
SCHEMBL2730967 0.86 DHODH (0.68) DHODHIMPDH2
SCHEMBL2723348 0.83 PTGES (0.61) DHODHPTGESALOX5IMPDH2PTGS1
SCHEMBL15247914 0.82 DHODH (0.60) DHODHPTGESALOX5IMPDH2PTGS1
SCHEMBL2732257 0.77 DHODH (0.57) DHODHPTGESALOX5IMPDH2PTGS1
SCHEMBL2732259 0.77 DHODH (0.57) DHODHPTGESALOX5IMPDH2PTGS1
SCHEMBL15364121 0.75 DHODH (0.69) DHODHPTGESALOX5IMPDH2PTGS1
SCHEMBL15364116 0.75 DHODH (0.69) DHODHPTGESALOX5IMPDH2PTGS1
SCHEMBL15247881 0.74 APP (0.67) DHODHPTGESALOX5IMPDH2PTGS1

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 10 patents. 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
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-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
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
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 DHODH 1/4885PTGES 2938/4885ALOX5 1012/4885
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient CBR3, CBR1, DHX35 DHODH 16/4885PTGES 2891/4885ALOX5 79/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD DHODH 1/4885PTGES 2995/4885ALOX5 928/4885

“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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