SCHEMBL6294536

SCHEMBL6294536

CC(C)(COc1cccc(Br)c1)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.50
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SOD1 P00441 1/20 0.38

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
SCHEMBL1662035 0.81 MAOB (0.49) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL3636719 0.77 MAOB (0.55) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL23302996 0.77 IDO1 (0.44) MAOBALDH1A1
SCHEMBL5334810 0.76 LMNA (0.40) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL754086 0.75 TRPA1 (0.38) ALDH1A1HTT
SCHEMBL19384427 0.74 MAOB (0.51) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL31173236 0.74 MAOB (0.51) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL27075523 0.74 MAOB (0.51) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL19384488 0.73 MAOB (0.50) MAOBKDM4EALDH1A1LMNAMAPT
SCHEMBL16256459 0.73 MAOB (0.50) MAOBKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS C4 THERAPEUTICS, INC. 2023-01-05 US disclosed
EP-4054724-A1 BIFUNCTIONAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-09-14 EP disclosed
WO-2021086785-A1 BIFUNCTIONAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 WO disclosed
US-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US disclosed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP disclosed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US disclosed
EP-0922703-B1 Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds GRUENENTHAL GMBH (DE) 2002-12-04 EP disclosed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP disclosed
EP-0864559-B1 Substituted amino compounds and their use as analgesic active substances GRUENENTHAL GMBH (DE) 2002-06-05 EP disclosed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 WO disclosed
US-6022895-A Substituted amino compounds and their use as substances having an analgesic effect GRUENENTHAL GMBH (DE) 2000-02-08 US disclosed
US-6013809-A ANALGESICS GRUENENTHAL GMBH (DE) 2000-01-11 US disclosed
EP-0922703-A1 Substituted heterocyclic benzocycloalkenes and their use as analgesically active compounds Grünenthal GmbH (DE) 1999-06-16 EP disclosed
EP-0864559-A1 Substituted amino compounds and their use as analgesic active substances Grünenthal GmbH (DE) 1998-09-16 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 (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-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives CYP2J2, CYP2E1, CYP2D6 MAOB 263/4885KDM4E 833/4885ALDH1A1 78/4885
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS ITCH, EGFR, MUC1 MAOB 3298/4885KDM4E 3571/4885ALDH1A1 1966/4885

“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.