SCHEMBL73986

SCHEMBL73986

CC(C)(C)Cc1c[nH]cn1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 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
SCHEMBL7176145 0.83 SLC6A2 (0.34)
SCHEMBL19851617 0.82 ESR1 (0.44) ESR1
SCHEMBL502576 0.81 BRS3 (0.31)
SCHEMBL22482128 0.81
SCHEMBL118438 0.78 NUDT1 (0.33)
SCHEMBL502258 0.78
SCHEMBL19401021 0.78
SCHEMBL13224537 0.78 MEN1 (0.39)
SCHEMBL28324088 0.77
SCHEMBL22916695 0.77 ESR1 (0.33) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11859242-B2 Template-directed nucleic acid targeting compounds CARNEGIE MELLON UNIVERSITY (US) 2024-01-02 US disclosed
US-11859242-B2 Template-directed nucleic acid targeting compounds CARNEGIE MELLON UNIVERSITY (US) 2024-01-02 US disclosed
US-20230399326-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS RIGEL PHARMACEUTICALS, INC. (US) 2023-12-14 US disclosed
US-20230399326-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS RIGEL PHARMACEUTICALS, INC. (US) 2023-12-14 US disclosed
US-11820835-B2 Cyclic tetrapeptide analogs UNIVERSITY OF KANSAS (US) 2023-11-21 US disclosed
US-11820835-B2 Cyclic tetrapeptide analogs UNIVERSITY OF KANSAS (US) 2023-11-21 US disclosed
US-11814527-B2 Three-dimensional printing with supramolecular templated hydrogels TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-11-14 US disclosed
US-20230322732-A1 RIP1 Inhibitory Compounds and Methods for Making and Using the Same RIGEL PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. 2023-10-05 US disclosed
US-20230303555-A1 PYRIMID-2-YL-PYRAZOLE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-09-28 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs PALATIN TECHNOLOGIES, INC. (US) 2007-11-08 US disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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 (12 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-20230310454-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 ESR1 3454/4885
US-20230399326-A1 PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS IRAK1, IRAK3, IRAK2 ESR1 4730/4885
US-20070260040-A1 Amino Acid Surrogates for Peptidic Constructs ARGLU1, ARG1, QRFPR ESR1 1940/4885
US-20230322732-A1 RIP1 Inhibitory Compounds and Methods for Making and Using the Same RIPK1, RIPK2, RIPK3 ESR1 3454/4885
US-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP ESR1 4422/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 ESR1 1494/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ESR1 3826/4885
US-20230303555-A1 PYRIMID-2-YL-PYRAZOLE COMPOUNDS AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 ESR1 2415/4885
US-11820835-B2 Cyclic tetrapeptide analogs CALCA, VIP, OPRL1 ESR1 4552/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR ESR1 534/4885
US-11859242-B2 Template-directed nucleic acid targeting compounds TARDBP, HTT, TRDMT1 ESR1 2426/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK ESR1 3192/4885

“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.