SCHEMBL3870264

SCHEMBL3870264

CC(C)(C)[Si](C)(C)Oc1cccc2cc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.48
AHR P35869 1/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
KEAP1 Q14145 1/20 0.38
REN P00797 2/20 0.37
PDPK1 O15530 1/20 0.37
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
BACE1 P56817 1/20 0.33
ADORA1 P30542 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL3789623 0.77 BCHE (0.51) BCHEAHRNR3C1PGRNR3C2
SCHEMBL29317050 0.77 NOS1 (0.51) HTR2AHTR2C
SCHEMBL29992666 0.75 RHEB (0.45) AHRHTR2CHTR1AHTR1B
SCHEMBL3034603 0.75 RHEB (0.45) AHRHTR2CHTR1AHTR1B
SCHEMBL15902401 0.75 AHR (0.38) BCHEAHRNR3C1PGRNR3C2
SCHEMBL594125 0.74 BCHE (0.56) BCHEAHRNR3C1PGRNR3C2
SCHEMBL20744686 0.74 BCHE (0.45) BCHEAHRNR3C1PGRNR3C2
SCHEMBL2265745 0.74 BCHE (0.37) BCHEAHRNR3C1PGRNR3C2
SCHEMBL17977220 0.74 ALDH1A1 (0.47) PGRHTR1DHTR1B
SCHEMBL30556213 0.73 CA1 (0.38) HTR2AHTR2CCA12CA1CA9

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-3668877-B1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2024-05-01 EP disclosed
US-10980777-B2 Indole derivatives as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2021-04-20 US disclosed
US-10980777-B2 Indole derivatives as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2021-04-20 US disclosed
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-09-17 US disclosed
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-09-17 US disclosed
EP-3668877-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Istituto Europeo di Oncologia S.r.l. (IT) 2020-06-24 EP disclosed
WO-2019034774-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA (IEO) S.R.L. (IT) 2019-02-21 WO disclosed
EP-1781608-B1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
US-7405236-B2 Indole derivatives comprising an acetylene group HOFFMAN-LA ROCHE INC. (US) 2008-07-29 US disclosed
EP-1781608-A1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-09 EP disclosed
WO-2006018174-A1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO disclosed
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis HOFFMANN-LA ROCHE INC. 2006-02-16 US disclosed
US-4824852-A Substituted indole compounds which have useful effects on the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-25 US disclosed
US-4740602-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-26 US disclosed
EP-0206225-A2 Indole derivatives MERCK PATENT GmbH (DE) 1986-12-30 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-10980777-B2 Indole derivatives as histone demethylase inhibitors KDM1B, KDM1A, INMT BCHE 960/4885AHR 108/4885NR3C1 352/4885
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, INMT BCHE 960/4885AHR 108/4885NR3C1 352/4885
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis PPARD, PPARG, PPARA BCHE 3857/4885AHR 224/4885NR3C1 459/4885

“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.