SCHEMBL10048632

SCHEMBL10048632

CCCCC/C(C)=C\CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 3/20 0.42
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
LSS P48449 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
GPR84 Q9NQS5 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
SCHEMBL8998810 1.00 MEN1 (0.50) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL8998816 1.00 MEN1 (0.50) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL8998668 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL5439961 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL8998659 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL8998739 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL8998633 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL4586773 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL22556624 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1
SCHEMBL8998641 0.98 MEN1 (0.48) MEN1KMT2ACYP3A4ALOX15PTPN1

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 11 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
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
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 MEN1 3649/4885KMT2A 2734/4885CYP3A4 1657/4885
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient CBR3, CBR1, DHX35 MEN1 4164/4885KMT2A 3955/4885CYP3A4 219/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD MEN1 3767/4885KMT2A 2598/4885CYP3A4 1517/4885

“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.