SCHEMBL3034603

SCHEMBL3034603

CC(C)(C)[Si](C)(C)Oc1cccc2[nH]ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.45
AHR P35869 1/20 0.44
HTR1B P28222 2/20 0.43
TRPA1 O75762 1/20 0.43
HTR1A P08908 9/20 0.42
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL29992666 1.00 RHEB (0.45) RHEBAHRHTR1BTRPA1HTR1A
SCHEMBL11304563 0.83 RHEB (0.50) RHEBAHRHTR1BTRPA1HTR1A
SCHEMBL19645305 0.79 RHEB (0.38) RHEBAHRTRPA1
SCHEMBL5957996 0.79 SLC22A6 (0.49) AHRHTR1BHTR1AADRB1CYP3A4
SCHEMBL30681623 0.79 AHR (0.57) RHEBAHRHTR1BTRPA1HTR1A
SCHEMBL3373757 0.78 HTR1A (0.43) RHEBHTR1BTRPA1HTR1AADRB2
SCHEMBL31190636 0.76 IDO1 (0.50) CYP1A2CYP3A4LMNADRD4DRD3
SCHEMBL3801229 0.76 RHEB (0.54) RHEBAHRHTR1BTRPA1HTR1A
SCHEMBL3870264 0.75 BCHE (0.48) AHRHTR1BHTR1AHTR2C
SCHEMBL2087774 0.75 HTR1B (0.51) RHEBAHRHTR1BTRPA1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
EP-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 EP disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-1781608-B1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
EP-0950661-A1 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed
US-5939443-A ANTIDIABETIC AGENTS AND TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 1999-08-17 US disclosed
US-5840738-A Selective β-3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5808080-A Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-09-15 US disclosed
US-5786356-A TREATING TYPE II DIABETES, OBESITY ELI LILLY AND COMPANY (US) 1998-07-28 US disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed
WO-1997010825-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1997-03-27 WO disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 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 (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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 RHEB 1569/4885AHR 159/4885HTR1B 1927/4885

“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.