SCHEMBL88554

SCHEMBL88554

CC(C)(C)c1cc(N(CC=CO)CC=CO)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.50
RXRB P28702 7/20 0.50
RXRG P48443 7/20 0.50
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 2/20 0.32
HMGCR P04035 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL6231234 0.77 RXRA (0.46) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL90526 0.75 ALDH1A1 (0.33)
SCHEMBL89138 0.73
SCHEMBL2785505 0.71 RXRA (0.50) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL43496 0.71 GABRA1 (0.43) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL14372107 0.71 GABRA1 (0.52) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL345598 0.68 GABRA1 (0.48) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL175063 0.67 ALDH1A1 (0.44) CYP2C19
SCHEMBL10430838 0.67 RXRA (0.57) RXRARXRBRXRGGABRA1GABRB2
SCHEMBL13673476 0.66 GABRA1 (0.52) RXRARXRBRXRGGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129444-B2 Self-adhesive dental materials 3M ESPE AG (DE) 2012-03-06 US claimed
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
WO-2001044338-A1 RADICALLY CURABLE URETHANE PREPOLYMERS AND THEIR USE IN DENTAL MATERIALS 3M ESPE AG (DE) 2001-06-21 WO disclosed
WO-2001018085-A1 FILLER FOR PLASTIC FORMULATIONS BASED ON POLYURETHANE 3M ESPE AG (DE) 2001-03-15 WO disclosed
EP-1027377-A1 POLYMERIZABLE COMPOSITION AND THE APPLICATION THEREOF AS A COUPLING AGENT ESPE Dental AG (DE) 2000-08-16 EP 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
WO-1999024477-A1 POLYMERIZABLE COMPOSITION AND THE APPLICATION THEREOF AS A COUPLING AGENT ESPE DENTAL AG (DE) 1999-05-20 WO 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
US-4131729-A Dental compositions comprising acrylic esters of tricyclo [5.2.1.02,6 ] decane polymers ESPE FABRIK PHARMAZEUTISCHER PRAPARATE GMBH (DE) 1978-12-26 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 (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 RXRA 191/4885RXRB 317/4885RXRG 206/4885
US-11992539-B2 Curable dental compositions and uses thereof H1-0, COL1A1, HAX1 RXRA 191/4885RXRB 317/4885RXRG 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.