SCHEMBL8038396

SCHEMBL8038396

COc1ccc([O])c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA7 P43166 4/20 0.33
CA9 Q16790 4/20 0.33
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
CA4 P22748 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33
S1PR1 P21453 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL2955217 0.86 CA2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL11895292 0.81 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL23771986 0.76 HTR2A (0.38) CA1CA2CA7CA9CA12
SCHEMBL27918526 0.76 ACHE (0.38) CA1CA2CA7CA9CA12
SCHEMBL7979038 0.75 LMNA (0.37) CA1CA2CA7CA9CA12
SCHEMBL744622 0.74 TP53 (0.44) CA1CA2KDM4EMAPTMAPK1
SCHEMBL30577021 0.74 TP53 (0.44) CA1CA2KDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL27921669 0.74 CA2 (0.33) CA1CA2CA7CA9CA12
SCHEMBL4865708 0.74 NQO2 (0.39) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL27903884 0.74 CA2 (0.33) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721465-B1 GLUTATHIONE S-TRANSFERASE-ACTIVATED COMPOUNDS TELIK INC (US) 2000-05-03 EP claimed
US-5556942-A Glutathione S-transferase-activated compounds TERRAPIN TECHNOLOGIES, INC. (US) 1996-09-17 US claimed
US-5545621-A Glutathione S-transferase-activated compounds TERRAPIN TECHNOLOGIES, INC. (US) 1996-08-13 US claimed
EP-0721465-A1 GLUTATHIONE S-TRANSFERASE-ACTIVATED COMPOUNDS TERRAPIN TECHNOLOGIES, INC. (US) 1996-07-17 EP claimed
WO-1995009866-A1 GLUTATHIONE S-TRANSFERASE-ACTIVATED COMPOUNDS TERRAPIN TECHNOLOGIES, INC. (US) 1995-04-13 WO claimed
WO-1995009865-A1 GLUTATHIONE S-TRANSFERASE-ACTIVATED COMPOUNDS TERRAPIN TECHNOLOGIES, INC. (US) 1995-04-13 WO claimed
EP-3662996-A2 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS Verbio Vereinigte BioEnergie AG (DE) 2020-06-10 EP disclosed
EP-2703081-B1 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS XIMO AG (CH) 2019-08-07 EP disclosed
US-10343153-B2 Metathesis catalysts and reactions using the catalysts XIMO AG (CH) 2019-07-09 US disclosed
US-9919299-B2 Metathesis catalysts and reactions using the catalysts XIMO AG (CH) 2018-03-20 US disclosed
US-20160030936-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS VERBIO SE (DE) 2016-02-04 US disclosed
EP-2969204-A2 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS XiMo AG (CH) 2016-01-20 EP disclosed
US-20140309466-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS VERBIO SE (DE) 2014-10-16 US disclosed
WO-2014139679-A2 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS XIMO AG (CH) 2014-09-18 WO disclosed
EP-2703081-A1 Molybdenum and tungsten complexes as olefin metathesis catalysts and reactions using the catalysts XiMo AG (CH) 2014-03-05 EP 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-10343153-B2 Metathesis catalysts and reactions using the catalysts MSMO1, SQLE, MOGAT2 CA1 2101/4885CA2 3454/4885CA7 1857/4885
US-20140309466-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS MSMO1, PYM1, SQLE CA1 3824/4885CA2 3960/4885CA7 2867/4885
US-20160030936-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS MSMO1, SQLE, PYM1 CA1 3667/4885CA2 3970/4885CA7 2693/4885

“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.