SCHEMBL12468593

SCHEMBL12468593

COC(=O)/C=C/C(=O)OCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL17187309 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL18416708 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL17187311 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL17187310 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL18421219 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRALDH1A1
Monomethyl Fumarate SCHEMBL10715286 0.93 HCAR2 (0.57) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL18416709 0.92 HCAR2 (0.59) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL17187303 0.92 HCAR2 (0.59) HCAR2KEAP1NFE2L2TSHRALDH1A1
Tegomil Fumarate SCHEMBL17187305 0.92 HCAR2 (0.59) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL17187302 0.92 HCAR2 (0.59) HCAR2KEAP1NFE2L2TSHRALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239473-A1 NEW DERIVATIVES OF LICOFELONE ALBRECHT WOLFGANG (DE) 2020-07-30 US disclosed
US-20200239473-A1 NEW DERIVATIVES OF LICOFELONE ALBRECHT WOLFGANG (DE) 2020-07-30 US disclosed
EP-3131633-B1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ALBRECHT WOLFGANG (DE) 2020-03-04 EP disclosed
US-20180305292-A1 DERIVATIVES OF NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALBRECHT WOLFGANG (DE) 2018-10-25 US disclosed
EP-3365343-A1 NEW DERIVATIVES OF LICOFELONE ratiopharm GmbH (DE) 2018-08-29 EP disclosed
EP-3365023-A1 DERIVATIVES OF NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ratiopharm GmbH (DE) 2018-08-29 EP disclosed
US-9969674-B2 MMF-derivatives of ethyleneglycols RATIOPHARM GMBH (DE) 2018-05-15 US disclosed
US-9969674-B2 MMF-derivatives of ethyleneglycols RATIOPHARM GMBH (DE) 2018-05-15 US disclosed
US-9969674-B2 MMF-derivatives of ethyleneglycols RATIOPHARM GMBH (DE) 2018-05-15 US disclosed
WO-2017068052-A1 DERIVATIVES OF NONSTEROIDAL ANTI-INFLAMMATORY DRUGS RATIOPHARM GMBH (DE) 2017-04-27 WO disclosed
WO-2017068053-A1 NEW DERIVATIVES OF LICOFELONE RATIOPHARM GMBH (DE) 2017-04-27 WO disclosed
WO-2017068053-A1 NEW DERIVATIVES OF LICOFELONE RATIOPHARM GMBH (DE) 2017-04-27 WO disclosed
WO-2017068052-A1 DERIVATIVES OF NONSTEROIDAL ANTI-INFLAMMATORY DRUGS RATIOPHARM GMBH (DE) 2017-04-27 WO disclosed
EP-3131633-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ratiopharm GmbH (DE) 2017-02-22 EP disclosed
US-20170029357-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ALBRECHT, WOLFGANG (DE) 2017-02-02 US disclosed
US-20170029357-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ALBRECHT, WOLFGANG (DE) 2017-02-02 US disclosed
US-20170029357-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ALBRECHT, WOLFGANG (DE) 2017-02-02 US disclosed
WO-2015158817-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS RATIOPHARM GMBH (DE) 2015-10-22 WO disclosed
EP-2627721-A1 HIGH SOLIDS ANTIFOULING PAINT COMPOSITION Hempel A/S (DK) 2013-08-21 EP disclosed
WO-2012048712-A1 HIGH SOLIDS ANTIFOULING PAINT COMPOSITION HEMPEL A/S (DK) 2012-04-19 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-20200239473-A1 NEW DERIVATIVES OF LICOFELONE CYP51A1, CYP3A5, LITAF HCAR2 509/4885KEAP1 2402/4885NFE2L2 3101/4885
US-20180305292-A1 DERIVATIVES OF NONSTEROIDAL ANTI-INFLAMMATORY DRUGS TNF, PTGES, PTGES2 HCAR2 29/4885KEAP1 1108/4885NFE2L2 249/4885
US-20170029357-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS MGMT, PMM2, HLA-DRB1 HCAR2 455/4885KEAP1 425/4885NFE2L2 184/4885

“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.