SCHEMBL4470099

SCHEMBL4470099

CC(C)(C)[Si](Oc1cccc(Br)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
KMT2A Q03164 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 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
SCHEMBL29910455 1.00 MAOB (0.42) MAOBKMT2AABCG2MAPTCYP1A2
SCHEMBL704145 0.82 CA4 (0.37) ALDH1A1L3MBTL1MAPK1
SCHEMBL7092637 0.82 CYP3A4 (0.42) ALDH1A1LMNAHSD17B10
SCHEMBL6058734 0.81 ALDH1A1 (0.37) KMT2AABCG2RECQLALDH1A1KDM4E
SCHEMBL31637439 0.81 MAOB (0.49) MAOBKMT2AMAPTGAARECQL
SCHEMBL7227778 0.81 SLC6A2 (0.32) IDO1
SCHEMBL8135354 0.81
SCHEMBL9117953 0.80 HSP90AA1 (0.30)
SCHEMBL765385 0.80 VEGFA (0.32) IDO1TDO2
SCHEMBL30583963 0.80 VEGFA (0.32) IDO1TDO2

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 24 patents — showing the first 20. 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-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 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-1027340-A1 4, 5-DIARYLOXAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-16 EP 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
WO-1999021843-A1 4, 5-DIARYLOXAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed
EP-0864559-A1 Substituted amino compounds and their use as analgesic active substances Grünenthal GmbH (DE) 1998-09-16 EP disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 EP disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS MAOB 2228/4885KMT2A 3116/4885ABCG2 1552/4885
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives CYP2J2, CYP2E1, CYP2D6 MAOB 263/4885KMT2A 1920/4885ABCG2 1766/4885
US-20230002367-A1 BIFUNCTIONAL COMPOUNDS ITCH, EGFR, MUC1 MAOB 3298/4885KMT2A 3390/4885ABCG2 61/4885

“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.