SCHEMBL89184

SCHEMBL89184

CCOC(=O)CCCCCCC=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 1/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.52
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
PTGS2 P35354 1/20 0.51
PDE4D Q08499 1/20 0.51
MAPT P10636 2/20 0.50
DGKA P23743 2/20 0.48
FAAH O00519 2/20 0.46
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKCA P17252 1/20 0.45

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
SCHEMBL51878 1.00 TSHR (0.62) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL7290192 1.00 TSHR (0.62) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL1686744 1.00 TSHR (0.62) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL7946850 1.00 TSHR (0.62) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL362356 1.00 TSHR (0.62) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL20398941 1.00 TSHR (0.62) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL1306604 0.98 TSHR (0.59) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL3964566 0.92 NR1I2 (0.59) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL23595590 0.86 ALOX15 (0.80) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL15457464 0.86 ALOX15 (0.80) TSHRALDH1A1CYP3A4ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018132876-A1 NOVEL GLYCINE TRANSPORT INHIBITORS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF SYDNEY (AU) 2018-07-26 WO 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-20150322001-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2015-11-12 US disclosed
US-20150322001-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2015-11-12 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-8129552-B2 for transporting drugs or as gene transport vehicles, as solubilizers for drugs of low solubility in water, and themselves as active ingredients against diseases such as cancer or leishmaniosis; (Z)-6-octadecenyl-1-phospho-N,N,N-trimethylpropylammonium MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-06 US disclosed
US-8053460-B2 Chemoosensitizer for dug resistance tumors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-11-08 US disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0474008-A1 Amino acid derivatives MERCK PATENT GmbH (DE) 1992-03-11 EP disclosed
EP-0464517-A2 Amino acid derivatives with renin inhibiting activity MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed
US-4211567-A ALUMINUM ALCOHOLATE, METAL OXIDE AND A POLYVALENT ALCOHOL DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1980-07-08 US disclosed
US-4159204-A Process for the manufacture of refractory ceramic products DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1979-06-26 US 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 (4 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 TSHR 3571/4885ALDH1A1 93/4885CYP3A4 1657/4885
US-20130296422-A1 Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient CBR3, CBR1, DHX35 TSHR 4411/4885ALDH1A1 1072/4885CYP3A4 219/4885
US-20160296494-A1 DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR DHODH, DPYD, DLD TSHR 3627/4885ALDH1A1 75/4885CYP3A4 1517/4885
US-20150322001-A1 OMEGA-3 ANALOGUES ELOVL3, PTGER3, FFAR3 TSHR 2113/4885ALDH1A1 1463/4885CYP3A4 2518/4885

“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.