SCHEMBL2725472

SCHEMBL2725472

CCC(=O)OCCCCCCCC=Cc1c(O)c(Cl)c(C)c(C=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.38
▸ FAAH O00519 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ DHODH Q02127 4/20 0.32

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
SCHEMBL2725469 1.00 NAAA (0.38) NAAAFAAHHTTOPRM1DHODH
SCHEMBL2726471 0.86 DHODH (0.33) OPRM1DHODH
SCHEMBL2725883 0.85 DHODH (0.36) OPRM1DHODH
SCHEMBL2728330 0.85 DHODH (0.36) OPRM1DHODH
SCHEMBL2728334 0.85 DHODH (0.36) OPRM1DHODH
SCHEMBL2725884 0.85 DHODH (0.36) OPRM1DHODH
SCHEMBL2725233 0.85 DHODH (0.36) OPRM1DHODH
SCHEMBL2725229 0.85 DHODH (0.36) OPRM1DHODH
SCHEMBL3908788 0.83 OPRM1 (0.45) FAAHOPRM1
SCHEMBL3900975 0.83 OPRM1 (0.45) FAAHOPRM1

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
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 NAAA 1924/4885FAAH 1902/4885HTT 1020/4885
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient CBR3, CBR1, DHX35 NAAA 3009/4885FAAH 1652/4885HTT 4388/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD NAAA 1947/4885FAAH 1770/4885HTT 1123/4885

“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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