SCHEMBL43496

SCHEMBL43496

CC(C)(C)c1cc(N(CCO)CCO)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
RXRA P19793 7/20 0.41
RXRB P28702 7/20 0.41
RXRG P48443 7/20 0.41
CYP2C19 P33261 2/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 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
SCHEMBL13990578 0.81 CYP2D6 (0.44) RXRARXRBMAPTALDH1A1KDM4E
SCHEMBL44011 0.79 LMNA (0.43) MAPTALDH1A1KDM4EMAPK1HTT
SCHEMBL2785505 0.76 RXRA (0.50) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL20599272 0.73 EGFR (0.36) MAPTALDH1A1KDM4EMAPK1HTT
SCHEMBL24885665 0.72 ALDH1A1 (0.64) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL43166 0.71 MAPT (0.38) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL7931679 0.71 GABRA1 (0.39) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL88554 0.71 RXRA (0.50) GABRA1GABRB2RXRARXRBRXRG
SCHEMBL14003144 0.71 TSPO (0.33) MAPTALDH1A1KDM4EMAPK1HTT
SCHEMBL14372107 0.70 GABRA1 (0.52) GABRA1GABRB2RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260144714-A1 KIT FOR PREPARING CURABLE COMPOSITION FOR DENTAL MATERIAL, CURABLE COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2026-05-28 US disclosed
US-12622847-B2 Organosilicon compound and dental composition containing same KURARAY NORITAKE DENTAL INC. (JP) 2026-05-12 US disclosed
US-20260124121-A1 POLYMERIZABLE DENTAL COMPOSITION TROETSCHLER TOBIAS (DE) 2026-05-07 US disclosed
EP-4736833-A1 POLYMERIZABLE DENTAL COMPOSITION DENTSPLY SIRONA Inc. (US) 2026-05-06 EP disclosed
EP-3861977-B1 (METH)ACRYLATE, MONOMER COMPOSITION, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2026-05-06 EP disclosed
EP-4725470-A1 CURABLE DENTAL COMPOSITION Kuraray Noritake Dental Inc. (JP) 2026-04-15 EP disclosed
US-12564543-B2 Dental composition KURARAY NORITAKE DENTAL INC. (JP) 2026-03-03 US disclosed
US-12527725-B2 Solvent-free dental adhesive composition KURARAY NORITAKE DENTAL INC. (JP) 2026-01-20 US disclosed
US-12478562-B2 Dental restoration material composition KURARAY NORITAKE DENTAL INC. (JP) 2025-11-25 US disclosed
EP-4649938-A1 DENTAL COMPOSITION Kuraray Noritake Dental Inc. (JP) 2025-11-19 EP disclosed
EP-0948955-A1 POLYMERIZABLE DENTAL COMPOSITION KURARAY CO., LTD. (JP) 1999-10-13 EP disclosed
EP-0878183-A2 Adhesive system for dental use ESPE Dental AG (DE) 1998-11-18 EP disclosed
EP-0040232-B2 USE OF SILICIC ACID PELLETS AS FILLERS FOR DENTAL MATERIALS ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) 1993-09-29 EP disclosed
EP-0017151-B1 COLD CURING MATERIALS FOR DENTAL PURPOSES WITH POLYMERISATION-ACTIVE SULFONES BAYER AG (DE) 1984-02-15 EP disclosed
EP-0040232-B1 USE OF SILICIC ACID PELLETS AS FILLERS FOR DENTAL MATERIALS ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) 1983-11-02 EP disclosed
US-4389497-A Use of agglomerates of silicic acid as fillers in dental materials ESPE FABRIK PARMAZEUTISCHER PRAPARATE GMBH (DE) 1983-06-21 US disclosed
EP-0040232-A1 USE OF SILICIC ACID PELLETS AS FILLERS FOR DENTAL MATERIALS. ESPE PHARM PRAEP (DE) 1981-11-25 EP disclosed
WO-1981001366-A1 USE OF SILICIC ACID PELLETS AS EXIPIENTS FOR DENTAL MASS MATERIAL ESPE PHARM PRAEP (DE) 1981-05-28 WO disclosed
EP-0017151-A2 Cold curing materials for dental purposes with polymerisation-active sulfones BAYER AG (DE) 1980-10-15 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 (6 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-12527725-B2 Solvent-free dental adhesive composition CDH1, ITGA1, ITGB8 GABRA1 2463/4885GABRB2 2392/4885RXRA 733/4885
US-20260144714-A1 KIT FOR PREPARING CURABLE COMPOSITION FOR DENTAL MATERIAL, CURABLE COMPOSITION FOR DENTAL MATERIAL, AND DENTAL MATERIAL CAD, KIT, ILK GABRA1 4011/4885GABRB2 4600/4885RXRA 1532/4885
US-12564543-B2 Dental composition CAD, ARCN1, MAT1A GABRA1 1271/4885GABRB2 2384/4885RXRA 2241/4885
US-12478562-B2 Dental restoration material composition CAD, MAT2B, RER1 GABRA1 842/4885GABRB2 1582/4885RXRA 212/4885
US-12622847-B2 Organosilicon compound and dental composition containing same MSL1, ITGA1, ITGAL GABRA1 4487/4885GABRB2 4777/4885RXRA 992/4885
US-20260124121-A1 POLYMERIZABLE DENTAL COMPOSITION F12, RAD51, PFN1 GABRA1 2518/4885GABRB2 3449/4885RXRA 738/4885

“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.