SCHEMBL2821530

SCHEMBL2821530

CC(C)(C)[Si](C)(C)OCCc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.45
ESR2 Q92731 2/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CA2 P00918 1/20 0.41
CALM1 P0DP23 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ADRA2A P08913 3/20 0.39
SLC6A2 P23975 3/20 0.39
KDM4E B2RXH2 2/20 0.39
BACE1 P56817 2/20 0.39
IDO1 P14902 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3A P46098 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL2142371 0.86 PPARA (0.42) CA2ALDH1A1KDM4EBACE1MAPT
SCHEMBL15809710 0.85 LMNA (0.56) KMT2AMEN1ALDH1A1SLC6A2KDM4E
SCHEMBL2696466 0.84 CYP1A2 (0.41) IDO1TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL906834 0.83 IDO1 (0.48) ESR1ESR2KMT2AMEN1CALM1
SCHEMBL23066421 0.83 DUT (0.35)
SCHEMBL23355637 0.83 DUT (0.35) ESR1ESR2KMT2AMEN1
SCHEMBL5871377 0.82 MEN1 (0.42) KMT2AMEN1TDP1
SCHEMBL2366928 0.82 GFER (0.45) ALDH1A1TP53CYP3A4NPC1MAPT
SCHEMBL24197444 0.82 TAAR1 (0.44) KMT2AALDH1A1ADRA2ASLC6A2KDM4E
SCHEMBL21178368 0.82 DUT (0.36) CA2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
EP-3049386-B9 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-11-18 EP disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
US-10793509-B2 Compounds useful in the treatment of neoplastic diseases UNIVERSITÄT ZU KOLN (DE) 2020-10-06 US disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
EP-3049386-B1 COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES UNIV KOELN (DE) 2020-07-22 EP disclosed
US-9980928-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2018-05-29 US disclosed
US-9980928-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2018-05-29 US disclosed
US-9980928-B2 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2018-05-29 US disclosed
US-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2017-08-24 US disclosed
WO-2014096377-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2014-06-26 WO disclosed
EP-2745876-A1 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives Prous Institute for Biomedical Research, S.A. (ES) 2014-06-25 EP disclosed
EP-2745876-A1 Hydroxy aliphatic substituted phenyl aminoalkyl ether derivatives Prous Institute for Biomedical Research, S.A. (ES) 2014-06-25 EP disclosed
US-20130225529-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF MEDICON PHARMACEUTICALS, INC. 2013-08-29 US disclosed
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 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 (5 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-10793509-B2 Compounds useful in the treatment of neoplastic diseases APC, BRCA1, VHL ESR1 2384/4885ESR2 1457/4885KMT2A 3041/4885
US-20130225529-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF PHOSPHO1, PIK3CA, PYGB ESR1 964/4885ESR2 510/4885KMT2A 3295/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 ESR1 2195/4885ESR2 1125/4885KMT2A 3042/4885
US-20170239197-A1 HYDROXY ALIPHATIC SUBSTITUTED PHENYL AMINOALKYL ETHER DERIVATIVES SLC1A2, PNMT, DBH ESR1 3357/4885ESR2 928/4885KMT2A 255/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 ESR1 3709/4885ESR2 1635/4885KMT2A 223/4885

“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.