SCHEMBL64462

SCHEMBL64462

CCC(=O)CN(CC(=O)CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRB P28702 11/20 0.46
RXRA P19793 10/20 0.46
RXRG P48443 9/20 0.46
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HMGCR P04035 1/20 0.33
CYP2C19 P33261 1/20 0.33
PLA2G2A P14555 1/20 0.33
BLM P54132 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
SCHEMBL2785505 0.74 RXRA (0.50) RXRBRXRARXRGHPGDTSHR
SCHEMBL28240841 0.69 RXRA (0.46) RXRBRXRARXRGHPGDTSHR
SCHEMBL43496 0.69 GABRA1 (0.43) RXRBRXRARXRGHPGDRAB9A
SCHEMBL6231234 0.68 RXRA (0.46) RXRBRXRARXRGTSHRHDAC8
SCHEMBL64463 0.68 RXRA (0.40) RXRBRXRARXRGTSHRHDAC8
SCHEMBL27857311 0.67 ACHE (0.46) RXRBRXRARXRGRAB9AHDAC8
SCHEMBL11473066 0.67 RXRA (0.62) RXRBRXRARXRGHPGDTSHR
SCHEMBL11103938 0.66 RXRB (0.45) RXRBRXRARXRGRAB9AGABRA1
SCHEMBL29220490 0.66 LMNA (0.52) RXRBRXRARXRGHPGDTSHR
SCHEMBL88554 0.66 RXRA (0.50) RXRBRXRARXRGHDAC8GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024121658-A1 SURFACE-TREATED FILLER, DENTAL COMPOSITION CONTAINING SUCH A FILLER, PROCESS OF PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-06-13 WO disclosed
US-11998417-B2 Process for producing a surface-modified dental article SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-06-04 US disclosed
US-11992539-B2 Curable dental compositions and uses thereof SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-05-28 US disclosed
EP-4362881-A1 DENTAL CEMENT COMPOSITION, KIT OF PARTS AND USE THEREOF 3M Innovative Properties Company (US) 2024-05-08 EP disclosed
WO-2024057144-A1 DENTAL PRODUCT WITH REDUCED EXTRUSION FORCES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-03-21 WO disclosed
US-20230404861-A1 CURABLE DENTAL COMPOSITIONS AND USES THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-12-21 US disclosed
EP-4251117-A1 CURABLE DENTAL COMPOSITIONS AND USES THEREOF 3M Innovative Properties Company (US) 2023-10-04 EP disclosed
US-20230225829-A1 PROCESS FOR PRODUCING A SURFACE-MODIFIED DENTAL ARTICLE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-07-20 US disclosed
EP-4175584-A1 PROCESS FOR PRODUCING A SURFACE-MODIFIED DENTAL ARTICLE 3M Innovative Properties Company (US) 2023-05-10 EP disclosed
WO-2023275637-A1 DENTAL CEMENT COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-01-05 WO disclosed
US-20040110864-A1 Self-adhesive dental materials 3M ESPE AG (DE) 2004-06-10 US disclosed
EP-1242493-B1 RADICALLY CURABLE URETHANE PREPOLYMERS AND THEIR USE IN DENTAL MATERIALS ESPE DENTAL AG (DE) 2003-10-08 EP disclosed
EP-1222220-B1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M ESPE AG (DE) 2003-08-13 EP disclosed
EP-0717977-B1 Fluoride releasing dental composite material 3M ESPE AG (DE) 2003-03-19 EP disclosed
US-20030008967-A1 Radically curable urethane prepolymers and their use in dental materials 3M INNOVATIVE PROPERTIES COMPANY 2003-01-09 US disclosed
US-5968998-A ADDITIONALLY CONTAINING SPECIFIED UNSATURATED ARYL COMPOUND TO LENGTHEN SETTING TIME ESPE STIFTUNG & CO. PRODUKTIONS-UND VERTRIEBS KG (DE) 1999-10-19 US disclosed
US-5824720-A DI OR MULTI(METH)ACRYLATES, INITIATORS, ACTIVATORS, FILLERS AND FLUORIDE COMPLEXES FOR DENTAL FILLING THERA PATENT GMBH & CO. KG GESELLSCHAFT FUR INDUSTRIELLE SCHUTZRECHTE (DE) 1998-10-20 US disclosed
US-5583164-A FREE RADICAL POLYMERIZATION; DELAY CURING ESPE STIFTUNG & CO. PRODUKTIONS-UND VERTRIEBS KG (DE) 1996-12-10 US disclosed
EP-0717977-A2 Fluoride releasing dental composite material THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1996-06-26 EP disclosed
EP-0374824-B1 DENTAL COMPOSITIONS CONTAINING BIFUNCTIONAL ACRYLIC OR METHACRYLIC ACID ESTERS THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1993-09-22 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 (2 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-20230404861-A1 CURABLE DENTAL COMPOSITIONS AND USES THEREOF H1-0, COL1A1, HAX1 RXRB 317/4885RXRA 191/4885RXRG 206/4885
US-11992539-B2 Curable dental compositions and uses thereof H1-0, COL1A1, HAX1 RXRB 317/4885RXRA 191/4885RXRG 206/4885

“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.