SCHEMBL8894587

SCHEMBL8894587

COc1cc(OC)c(C(C)=O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 3/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL6742081 0.92 HTT (0.55) CYP3A4GAAHTTALDH1A1CA9
SCHEMBL10986650 0.90 HTT (0.52) CYP3A4GAAHTTALDH1A1CA9
SCHEMBL20507782 0.85 MAPT (0.46) CYP3A4GAAHTTALDH1A1KDM4E
SCHEMBL7910265 0.85 HTT (0.47) GAAHTTALDH1A1TSHRKDM4E
SCHEMBL3645035 0.85 HTT (0.72) CYP3A4GAAHTTALDH1A1KDM4E
SCHEMBL3928834 0.85 GAA (0.47) CYP3A4GAAHTTALDH1A1CA9
SCHEMBL7797927 0.84 GAA (0.50) CYP3A4GAAHTTALDH1A1KDM4E
SCHEMBL3617721 0.84 ALDH1A1 (0.55) CYP3A4GAAHTTALDH1A1KDM4E
SCHEMBL24010000 0.83 GAA (0.58) CYP3A4GAAHTTALDH1A1TSHR
SCHEMBL30288399 0.83 GAA (0.58) CYP3A4GAAHTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
US-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE, INC. (JP) 2018-09-27 US disclosed
WO-2018165112-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING HISTONE METHYLTRANSFERASE ONCOTHERAPY SCIENCE, INC. (JP) 2018-09-13 WO disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP disclosed
WO-2009043784-A1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO disclosed
US-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 US disclosed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 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 (1 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-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 SUV39H2, SUV39H1, EZH1 CYP3A4 3740/4885GAA 2275/4885HTT 1766/4885

“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.