SCHEMBL995678

SCHEMBL995678

CC(C)(O)C(=O)c1cccc(OCC2CO2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TP53 P04637 3/20 0.59
TSHR P16473 3/20 0.59
HIF1A Q16665 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP3A4 P08684 1/20 0.59
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 4/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
PPARG P37231 1/20 0.47
NR1H4 Q96RI1 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NR4A1 P22736 1/20 0.40

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
SCHEMBL6915699 0.83 SMN1; SMN2 (0.66) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL6915703 0.83 SMN1; SMN2 (0.66) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL2471221 0.83 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL6915692 0.83 SMN1; SMN2 (0.66) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL19827992 0.82 ALDH1A1 (0.68) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL8208400 0.82 ALDH1A1 (0.68) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL19827996 0.81 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL9448356 0.81 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL11198075 0.80 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ASMN1; SMN2
SCHEMBL14700250 0.80 LMNA (0.41) ALDH1A1TP53TSHRHIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11904031-B2 Orthodontic articles comprising polymerized composition comprising at least two free-radical initiators 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-02-20 US disclosed
US-20230159680-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-05-25 US disclosed
US-11584817-B2 Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-02-21 US disclosed
US-20210386522-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION COMPRISING POLYMER OR MACROMOLECULE WITH PHOTOINITIATOR GROUP 3M INNOVATIVE PROPERTIES COMPANY 2021-12-16 US disclosed
US-20210238328-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2021-08-05 US disclosed
US-20210186820-A1 ORTHODONTIC ARTICLES COMPRISING POLYMERIZED COMPOSITION COMPRISING AT LEAST TWO FREE-RADICAL INITIATORS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2021-06-24 US disclosed
EP-3813763-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT 3M Innovative Properties Company (US) 2021-05-05 EP disclosed
EP-3713535-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION COMPRISING POLYMER OR MACROMOLECULE WITH PHOTOINITIATOR GROUP 3M Innovative Properties Company (US) 2020-09-30 EP disclosed
US-20200199421-A1 PHYSICALLY CROSSLINKABLE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2020-06-25 US disclosed
US-20200048392-A1 PHYSICALLY CROSSLINKABLE (METH)ACRYLATE COPOLYMER COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2020-02-13 US disclosed
US-20050070688-A1 Reactive hydrophilic oligomers 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
EP-1315761-B1 CROSSLINKABLE POLYMERIC COMPOSITIONS AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2004-12-29 EP disclosed
US-6664306-B2 Melt processable composition comprising dendritic polymer having plurality of pendent free-radically polymerizable functional groups and polymeric photoinitiator 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030134930-A1 Crosslinkable polymeric compositions and use thereof 3M INNOVATIVE PROPERTIES COMPANY 2003-07-17 US disclosed
EP-1315761-A1 CROSSLINKABLE POLYMERIC COMPOSITIONS AND USE THEREOF 3M Innovative Properties Company (US) 2003-06-04 EP disclosed
US-6448301-B1 MELT PROCESSIBLE COATINGS, SEALANTS OR ADHESIVES; PHOTO-CHEMICALLY CURABLE POLYMER WITH PENDENT ETHYLENICALLY UNSATURATED GROUPS AND A POLYMER PHOTOINITIATOR; LOW SHRINKAGE, LOW RESIDUALS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-10 US disclosed
WO-2002020625-A1 CROSSLINKABLE POLYMERIC COMPOSITIONS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-03-14 WO disclosed
EP-0772655-B1 ACRYLIC SYRUP CURABLE TO A CROSSLINKED VISCOELASTOMERIC MATERIAL MINNESOTA MINING & MFG (US) 2000-03-01 EP disclosed
EP-0772655-A1 ACRYLIC SYRUP CURABLE TO A CROSSLINKED VISCOELASTOMERIC MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-14 EP disclosed
WO-1996004346-A1 ACRYLIC SYRUP CURABLE TO A CROSSLINKED VISCOELASTOMERIC MATERIAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO 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 (5 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-20210186820-A1 ORTHODONTIC ARTICLES COMPRISING POLYMERIZED COMPOSITION COMPRISING AT LEAST TWO FREE-RADICAL INITIATORS AASDHPPT, ELL, APEH ALDH1A1 468/4885TP53 4569/4885TSHR 4172/4885
US-20230159680-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM ALDH1A1 411/4885TP53 4516/4885TSHR 4442/4885
US-20210238328-A1 ORTHODONTIC ARTICLES COMPRISING CURED FREE-RADICALLY POLYMERIZABLE COMPOSITION WITH IMPROVED STRENGTH IN AQUEOUS ENVIRONMENT ELL, PCNA, PAM ALDH1A1 411/4885TP53 4516/4885TSHR 4442/4885
US-11584817-B2 Orthodontic articles comprising cured free-radically polymerizable composition with improved strength in aqueous environment ELL, PCNA, PAM ALDH1A1 411/4885TP53 4516/4885TSHR 4442/4885
US-11904031-B2 Orthodontic articles comprising polymerized composition comprising at least two free-radical initiators ELL, PAM, HDAC10 ALDH1A1 572/4885TP53 4671/4885TSHR 4031/4885

“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.