SCHEMBL8459343

SCHEMBL8459343

CCOC(=O)/C=C/CC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.46
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
MDM2 Q00987 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL8459344 1.00 HCAR2 (0.52) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL22734091 0.84 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL11702437 0.83 NPSR1 (0.43) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL11702432 0.83 NPSR1 (0.43) HCAR2MAPTALDH1A1TTRDPP4
Hydrochloric Acid SCHEMBL29911009 0.82 MAPT (0.47) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL8152585 0.82 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL5643847 0.82 MAPT (0.50) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL7021082 0.80 MAPT (0.49) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL12710484 0.80 MAPT (0.58) HCAR2MAPTALDH1A1TTRDPP4
SCHEMBL7701708 0.80 MAPT (0.45) HCAR2MAPTALDH1A1TTRDPP4

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
WO-2024107778-A1 NOVEL PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-05-23 WO disclosed
US-20230265057-A1 INHIBITORS OF PARG ARASE THERAPEUTICS INC. 2023-08-24 US disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10040806-B2 Microbiocidally active benzoxaboroles SYNGENTA PARTICIPATIONS AG (CH) 2018-08-07 US disclosed
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-01 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-5962002-A 1,1,4,4-SUBSTITUTED DIHYDRONAPHTHALENE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1999-10-05 US disclosed
EP-0802730-B1 PESTICIDAL COMPOUNDS BTG INT LTD (GB) 1999-06-23 EP disclosed
EP-0802730-A1 PESTICIDAL COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021355-A1 PESTICIDAL COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-07-18 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 (5 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HCAR2 1635/4885MAPT 2110/4885ALDH1A1 796/4885
US-20230265057-A1 INHIBITORS OF PARG PARG, PARN, PLG HCAR2 1746/4885MAPT 4237/4885ALDH1A1 3863/4885
US-20160347773-A1 MICROBIOCIDALLY ACTIVE BENZOXABOROLES MPO, BROX, MANBA HCAR2 1447/4885MAPT 3740/4885ALDH1A1 1549/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 HCAR2 2326/4885MAPT 2/4885ALDH1A1 1738/4885
US-10040806-B2 Microbiocidally active benzoxaboroles MPO, BROX, MANBA HCAR2 1447/4885MAPT 3740/4885ALDH1A1 1549/4885

“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.