SCHEMBL90526

SCHEMBL90526

Cc1cc(C)cc(N(CC=CO)CC=CO)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
BLM P54132 1/20 0.33
TSPO P30536 1/20 0.32
ERN1 O75460 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
SCHEMBL89138 0.82
SCHEMBL175063 0.79 ALDH1A1 (0.44) ALDH1A1
SCHEMBL11286675 0.75 ALDH1A1 (0.42) ALDH1A1BLM
SCHEMBL15324519 0.74 CRHR1 (0.41) ALDH1A1TSPO
SCHEMBL7047586 0.72 CNR1 (0.41) ALDH1A1
SCHEMBL11466649 0.71 ALDH1A1 (0.48) ALDH1A1
SCHEMBL7069055 0.70 ALDH1A1 (0.39) ALDH1A1BLMTSPO
SCHEMBL460383 0.70 TSHR (0.38) ALDH1A1
SCHEMBL11126424 0.67 ALDH1A1 (0.48) ALDH1A1BLMTSPO
SCHEMBL43166 0.67 MAPT (0.38) ALDH1A1TSPO

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 130 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
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
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
EP-0374824-A2 Dental compositions containing bifunctional acrylic or methacrylic acid esters THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1990-06-27 EP disclosed
US-4323348-A Dental compositions BAYER AKTIENGESELLSCHAFT (DE) 1982-04-06 US disclosed
EP-0023685-A2 Dental masses BAYER AG (DE) 1981-02-11 EP disclosed
US-4095018-A POLYACRYLIC ACIDS AND ESTERS ESPE FABRIK PHARMAZEUTISCHER PRAPARATE GMBH (DT) 1978-06-13 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 (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 ALDH1A1 576/4885BLM 828/4885TSPO 4166/4885
US-11992539-B2 Curable dental compositions and uses thereof H1-0, COL1A1, HAX1 ALDH1A1 576/4885BLM 828/4885TSPO 4166/4885

“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.