SCHEMBL63768

SCHEMBL63768

CCCCOCCOC(=O)c1ccc(N(CC)CC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
CYP1A2 P05177 3/20 0.55
TSHR P16473 3/20 0.55
ESR1 P03372 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 2/20 0.55
MAPK1 P28482 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 1/20 0.54
PDE4D Q08499 1/20 0.54
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
ABCB11 O95342 1/20 0.52
ADRA2B P18089 1/20 0.52
OPRD1 P41143 1/20 0.52
SCN5A Q14524 1/20 0.52
STS P08842 7/20 0.48

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
SCHEMBL16278866 0.88 ESR1 (0.69) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL9840621 0.88 ESR1 (0.69) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL17797863 0.88 ESR1 (0.69) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL23001352 0.87 LMNA (0.54) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL43781 0.87 ALDH1A1 (0.58) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL11569263 0.87 ALDH1A1 (0.58) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL29988943 0.87 ALDH1A1 (0.58) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL7601276 0.87 ALDH1A1 (0.63) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL22832633 0.86 ESR1 (0.72) LMNACYP1A2TSHRESR1CYP2C19
SCHEMBL5709852 0.85 ALDH1A1 (0.66) LMNACYP1A2TSHRESR1CYP2C19

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2021-09-07 US disclosed
US-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2020-01-30 US disclosed
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits MITSUI CHEMICALS, INC. (JP) 2019-11-12 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 US disclosed
EP-3278787-A1 POLYMERIZABLE MONOMER FOR DENTAL MATERIALS, COMPOSITION, ADHESIVE DENTAL MATERIAL, AND KIT Mitsui Chemicals, Inc. (JP) 2018-02-07 EP disclosed
EP-1627867-B1 (METH)ACRYLIC ESTER COMPOUND AND USE THEREOF MITSUI CHEMICALS INC (JP) 2016-01-20 EP disclosed
EP-2058318-B1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION MITSUI CHEMICALS INC (JP) 2012-05-16 EP disclosed
US-8129443-B2 Inorganic oxide nanoparticles having an X-ray contrast property and high transparency, a functionalized silanediol monomeric or oligomeric surface modifier, and a polymerizable compound; dental composites SUN MEDICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
US-7534909-B2 (Meth) acrylic ester compound and use thereof MITSUI CHEMICALS, INC. (JP) 2009-05-19 US disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP disclosed
US-20080182919-A1 Dental Restorative Composition SUN MEDICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1854447-A1 DENTAL RESTORATION MATERIAL COMPOSITION SUN MEDICAL CO., LTD. (JP) 2007-11-14 EP disclosed
US-20070078198-A1 (Meth) acrylic ester compound and use thereof MITSUI CHEMICALS, INC. (JP) 2007-04-05 US disclosed
EP-1627867-A1 (METH)ACRYLIC ESTER COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-02-22 EP disclosed
US-20050123762-A1 Polymerizable composition, cured object obtained therefrom, and composite material SUN MEDICAL CO., LTD. (JP) 2005-06-09 US disclosed
US-20040039080-A1 Dental material and composition SUN MEDICAL CO., LTD. (JP) 2004-02-26 US disclosed
EP-1334711-A1 DENTAL MATERIAL AND COMPOSITION SUN MEDICAL CO., LTD. (JP) 2003-08-13 EP disclosed
EP-0588534-B1 Radiation curing ink HAYAKAWA RUBBER (JP) 1998-12-02 EP disclosed
EP-0003872-A1 Substituted benzoic acid esters, compositions containing them, combinations thereof with photoinitiators and methods of making cured plastics compositions using them WARD BLENKINSOP AND COMPANY LIMITED (GB) 1979-09-05 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 (8 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-20040039080-A1 Dental material and composition RPS12, RPS21, RPS14 LMNA 3299/4885CYP1A2 3686/4885TSHR 3057/4885
US-20200030194-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS ACTN1, SMCHD1, CAPZA1 LMNA 1974/4885CYP1A2 4859/4885TSHR 4160/4885
US-20080182919-A1 Dental Restorative Composition PARG, PARN, FHIT LMNA 682/4885CYP1A2 4433/4885TSHR 3228/4885
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 LMNA 1188/4885CYP1A2 4871/4885TSHR 4810/4885
US-10470980-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits HRH3, HRH1, HRH2 LMNA 2937/4885CYP1A2 2042/4885TSHR 861/4885
US-11110038-B2 Dental polymerizable monomers, compositions, adhesive dental materials and kits ACTN1, SMCHD1, CAPZA1 LMNA 1974/4885CYP1A2 4859/4885TSHR 4160/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 LMNA 2937/4885CYP1A2 2042/4885TSHR 861/4885
US-20070078198-A1 (Meth) acrylic ester compound and use thereof METTL14, PAM, TAS2R41 LMNA 4549/4885CYP1A2 897/4885TSHR 2889/4885

“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.