SCHEMBL10048510

SCHEMBL10048510

COC(=O)CCCCCCC/C=C/c1c(O)c(Cl)c(C)c(C=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ DHODH Q02127 5/20 0.35
▸ TSHR P16473 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ KAT2B Q92831 1/20 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
SCHEMBL3908785 0.82 OPRM1 (0.45) —
SCHEMBL2725472 0.81 NAAA (0.38) DHODH
SCHEMBL28009777 0.81 DHODH (0.35) DHODH
SCHEMBL28009779 0.81 DHODH (0.35) DHODH
SCHEMBL3900984 0.81 OPRM1 (0.46) DHODH
SCHEMBL2726471 0.79 DHODH (0.33) DHODH
SCHEMBL2728334 0.78 DHODH (0.36) DHODH
SCHEMBL2725884 0.78 DHODH (0.36) DHODH
SCHEMBL2728330 0.78 DHODH (0.36) DHODH
SCHEMBL2725229 0.78 DHODH (0.36) DHODH

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 13 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-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-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
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
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
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 ALDH1A1 93/4885LMNA 4866/4885EPHX2 2152/4885
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient CBR3, CBR1, DHX35 ALDH1A1 1072/4885LMNA 3363/4885EPHX2 708/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD ALDH1A1 75/4885LMNA 4867/4885EPHX2 1773/4885

“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.

Send feedback