SCHEMBL7870035

SCHEMBL7870035

COC(=O)CC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA5 P22460 3/20 0.35
ABCB1 P08183 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 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
SCHEMBL13345438 1.00 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL7870032 1.00 ADRB2 (0.38) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL29064066 0.87 MMP12 (0.37) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL9735944 0.87 MMP12 (0.37) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL14551600 0.86 KCNA5 (0.40) CYP3A4HTTSMN1; SMN2KCNA5POLB
SCHEMBL9736771 0.85 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL13345392 0.85 HTT (0.35) CYP3A4HTTSMN1; SMN2KCNA5POLB
SCHEMBL24312400 0.84 CYP2D6 (0.38) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL10584182 0.84 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP3A4HTT
SCHEMBL3911872 0.84 PTPRC (0.35) ADRB2ADRB1ADRB3CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116437927-A Tetrahydrobenzodiazepine ketone compound and pharmaceutical application thereof 日本烟草产业株式会社 2023-07-14 CN disclosed
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
EP-0657458-B1 Protein kinase C inhibitors LILLY CO ELI (US) 2001-08-22 EP disclosed
US-6057440-A AMINATION AND DEETHERIFICATION OF BISINDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-05-02 US disclosed
US-5843935-A Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5821365-A COMPOUNDS AS ENZYME INHIBITORS FOR KINASES FORMED BY REACTION OF AMINE WITH ANHYDRIDE GROUP TO FORM INDOLMALEIMIDE MACROCYCLES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5780461-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1998-07-14 US disclosed
US-5739322-A INHIBITORS OF PROTEIN KINASE C IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-14 US disclosed
US-5719175-A ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1998-02-17 US disclosed
US-5698578-A BIS-INDOLEMALEIMIDE MACROCYCLE DERIVATIVES; TREATMENT OF DIABETES ELI LILLY AND COMPANY (US) 1997-12-16 US disclosed
US-5696108-A ADMINISERING TO THE MAMMAL BIS-INDOLEMALEIMIDE MACROCYCLIC DERIVATIVE AS ANTIINFLAMMATORY AGENT ELI LILLY AND COMPANY (US) 1997-12-09 US disclosed
US-5674862-A USING A BIS(INDOLEMALEIMIDE) MACROCYCLE DERIVATIVE ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
US-5624949-A Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed
US-5621098-A ALKYLATION OF THE CORRESPONDING BISINDOLE COMPOUND; CYCLIZATION; PROTEIN C KINEASE INHIBITOR ELI LILLY AND COMPANY (US) 1997-04-15 US disclosed
WO-1996030048-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1996-10-03 WO disclosed
EP-0735038-A1 Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1996-10-02 EP disclosed
US-5552396-A BIS-INDOLEMALEIMIDE MACROCYCLIC DERIVATIVES, ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0657458-A1 Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
US-4977279-A Anticholesterol agents HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-11 US disclosed
US-4970313-A Optically active 3-demethylmevalonic acid derivatives, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-13 US 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH ADRB2 2804/4885ADRB1 2014/4885ADRB3 344/4885

“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.