SCHEMBL22264128

SCHEMBL22264128

CC(C)c1cccc(C(C)C)c1S(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRB2 P47870 2/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 2/20 0.50
FAAH O00519 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GABRB1 P18505 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
HTR2B P41595 1/20 0.50
GABRA2 P47869 1/20 0.50

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
SCHEMBL8958889 0.98 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2CYP3A4
SCHEMBL30717958 0.76 CYP3A4 (0.54) GABRA1GABRG2GABRB3GABRB2CYP3A4
SCHEMBL345363 0.76 FABP4 (0.50) GABRA1GABRB2CYP3A4CA1CA2
SCHEMBL8958887 0.76 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2CYP3A4
SCHEMBL9843874 0.76 CYP3A4 (0.54) GABRA1GABRG2GABRB3GABRB2CYP3A4
SCHEMBL8959279 0.74 CYP3A4 (0.53) GABRA1GABRG2GABRB3GABRB2CYP3A4
SCHEMBL1033044 0.74 FABP4 (0.48) GABRA1GABRB2CYP3A4CA1CA2
SCHEMBL1021280 0.74 FABP4 (0.48) GABRA1GABRB2CYP3A4CA1CA2
Calcium SCHEMBL29853758 0.74 FABP4 (0.48) GABRA1GABRB2CYP3A4CA1CA2
SCHEMBL1022543 0.74 FABP4 (0.48) GABRA1GABRB2CYP3A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325993-B2 Chemical polymerization initiator, adhesive composition, adhesive composition kit, dental material, dental material kit, and method of storing adhesive composition TOKUYAMA DENTAL CORPORATION 2022-05-10 US disclosed
CN-111295398-B Chemical polymerization initiator, adhesive composition, kit thereof, method for storing adhesive composition, dental material, and kit thereof 德山齿科株式会社 2022-04-26 CN disclosed
EP-3693400-B1 CHEMICAL POLYMERIZATION INITIATOR, ADHESIVE COMPOSITION, ADHESIVE COMPOSITION KIT, DENTAL MATERIAL, DENTAL MATERIAL KIT, AND METHOD FOR STORING ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2021-10-06 EP disclosed
EP-3693400-A1 CHEMICAL POLYMERIZATION INITIATOR, ADHESIVE COMPOSITION, ADHESIVE COMPOSITION KIT, DENTAL MATERIAL, DENTAL MATERIAL KIT, AND METHOD FOR STORING ADHESIVE COMPOSITION Tokuyama Dental Corporation (JP) 2020-08-12 EP disclosed
US-20200239604-A1 CHEMICAL POLYMERIZATION INITIATOR, ADHESIVE COMPOSITION, ADHESIVE COMPOSITION KIT, DENTAL MATERIAL, DENTAL MATERIAL KIT, AND METHOD OF STORING ADHESIVE COMPOSITION TOKUYAMA DENTAL CORPORATION (JP) 2020-07-30 US disclosed
CN-111295398-A Chemical polymerization initiator, adhesive composition kit, dental material kit, and method for storing adhesive composition 德山齿科株式会社 2020-06-16 CN 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-11325993-B2 Chemical polymerization initiator, adhesive composition, adhesive composition kit, dental material, dental material kit, and method of storing adhesive composition TPO, AOC1, TST GABRA1 2369/4885GABRG2 2908/4885GABRB3 1643/4885
US-20200239604-A1 CHEMICAL POLYMERIZATION INITIATOR, ADHESIVE COMPOSITION, ADHESIVE COMPOSITION KIT, DENTAL MATERIAL, DENTAL MATERIAL KIT, AND METHOD OF STORING ADHESIVE COMPOSITION TPO, AOC1, TST GABRA1 2369/4885GABRG2 2908/4885GABRB3 1643/4885

“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.