SCHEMBL8407775

SCHEMBL8407775

OCc1cc(CO)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ ACMSD Q8TDX5 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ PPARG P37231 8/20 0.43
▸ PPARA Q07869 8/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP2C9 P11712 2/20 0.41

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
SCHEMBL8407831 0.92 PPARG (0.43) HDAC8HDAC6FNTAFNTBMCL1
SCHEMBL2491952 0.85 HDAC8 (0.53) HDAC8HDAC6MCL1ACMSDCA12
SCHEMBL6278115 0.85 MCL1 (0.43) HDAC8HDAC6FNTAFNTBMCL1
SCHEMBL12293556 0.81 CYP11B1 (0.50) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL13365235 0.80 CYP1A2 (0.36) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL29866205 0.80 CA12 (0.50) HDAC8HDAC6FNTAFNTBMCL1
SCHEMBL2010178 0.80 CA12 (0.50) HDAC8HDAC6FNTAFNTBMCL1
SCHEMBL12293558 0.77 CYP1A2 (0.41) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL3798335 0.77 CA12 (0.62) HDAC8HDAC6MCL1ACMSDCA12
SCHEMBL316112 0.77 TNF (0.57) HDAC8HDAC6MCL1ACMSDCA12

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
EP-3362564-B1 NUCLEIC ACID BASED TIA-1 INHIBITORS AQUINNAH PHARMACEUTICALS INC (US) 2020-07-01 — — EP disclosed
US-20190142860-A1 NUCLEIC ACID BASED TIA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-16 — — US disclosed
EP-3362564-A1 NUCLEIC ACID BASED TIA-1 INHIBITORS Aquinnah Pharmaceuticals Inc. (US) 2018-08-22 — — EP disclosed
WO-2017066657-A1 NUCLEIC ACID BASED TIA-1 INHIBITORS AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
EP-2366785-B1 OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT, AND USE OF THE LABELING AGENT JAPAN SCIENCE & TECH AGENCY (JP) 2013-01-16 — — EP disclosed
US-8354515-B2 Oligonucleotide derivative, labeling agent and use for labeling agent JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-01-15 — — US disclosed
US-8354515-B2 Oligonucleotide derivative, labeling agent and use for labeling agent JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-01-15 — — US disclosed
US-20120126175-A1 OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT AND USE FOR LABELING AGENT JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-05-24 — — US disclosed
US-20120126175-A1 OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT AND USE FOR LABELING AGENT JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-05-24 — — US disclosed
EP-2366785-A1 OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT, AND USE OF THE LABELING AGENT Japan Science And Technology Agency (JP) 2011-09-21 — — EP disclosed
WO-2010055789-A1 OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT, AND USE OF THE LABELING AGENT 独立行政法人科学技術振興機構 (JP) 2010-05-20 — — 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 (2 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-20120126175-A1 OLIGONUCLEOTIDE DERIVATIVE, LABELING AGENT AND USE FOR LABELING AGENT UPF1, SPIN4, SRRT HDAC8 2206/4885HDAC6 4431/4885FNTA 1672/4885
US-20190142860-A1 NUCLEIC ACID BASED TIA-1 INHIBITORS TIA1, TIAL1, TIAM1 HDAC8 2158/4885HDAC6 1965/4885FNTA 1400/4885

“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