SCHEMBL3234036

SCHEMBL3234036

CC(C)c1cc(C(C)C)cc(C(C)C)c1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
FABP3 P05413 2/20 0.42
FABP4 P15090 2/20 0.42
FABP5 Q01469 1/20 0.40
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
TYR P14679 4/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC8 Q9BY41 2/20 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
SCHEMBL338867 0.96 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4FABP5
Hydrogen Sulfide SCHEMBL28283354 0.92 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL5790729 0.92 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL23202734 0.92 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
Calcium SCHEMBL29750665 0.92 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL23202783 0.92 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28414081 0.92 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL29415630 0.92 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
Hydrogen Peroxide SCHEMBL3267226 0.88 FABP3 (0.52) GABRA1GABRB2FABP3FABP4FABP5
Hydrogen Peroxide SCHEMBL3271546 0.88 FABP3 (0.52) GABRA1GABRB2FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355040-A Degradable crosslinking agent for (meth) acrylic resin and method thereof 3M创新有限公司 2024-07-16 CN disclosed
EP-3888616-B1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN COLOR TONE SELECTIVITY SHOFU INC (JP) 2024-05-15 EP disclosed
CN-116507680-B Free radically polymerizable crosslinking agent, curable composition, and adhesive therefrom 3M创新有限公司 2024-05-14 CN disclosed
CN-112545901-B One-part dental adhesive composition 株式会社松风 2024-03-22 CN disclosed
CN-117715948-A Compositions comprising monomers having carboxylic acid groups, monomers having hydroxyl groups, alkyl monomers, and crosslinkers, and related articles and methods 3M创新有限公司 2024-03-15 CN disclosed
CN-113164328-B Difunctional and multifunctional coinitiators in dental compositions 登士柏德特里有限公司 2024-02-27 CN disclosed
CN-114008092-B Cross-linking agent and curable composition comprising same 3M创新有限公司 2024-02-02 CN disclosed
CN-110317226-B Silane coupling compounds and curable dental compositions containing the same 株式会社松风 2023-12-19 CN disclosed
CN-116981705-A Compositions comprising acrylic monomers having carboxylic acid groups, acrylic monomers having hydroxyl groups, alkyl (meth) acrylate monomers, and cross-linking agents, and related articles and methods 3M创新有限公司 2023-10-31 CN disclosed
CN-113692269-B Dental composition 登士柏希罗纳有限公司 2023-10-27 CN disclosed
CN-106413667-B Dental adhesive 可乐丽则武齿科株式会社 2020-06-16 CN disclosed
CN-111093559-A Dental mill blank and method for producing same 可乐丽则武齿科株式会社 2020-05-01 CN disclosed
CN-110785159-A Dual paste type dental curable composition 可乐丽则武齿科株式会社 2020-02-11 CN disclosed
US-8895680-B2 Redox curing-type nonaqueous curable composition KURARAY NORITAKE DENTAL INC. (JP) 2014-11-25 US disclosed
US-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION KURARAY MEDICAL INC. (JP) 2010-09-23 US disclosed
EP-1780223-B1 REDOX CURING-TYPE NONAQUEOUS CURABLE COMPOSITION KURARAY MEDICAL INC (JP) 2010-07-28 EP disclosed
US-20080081889-A1 Free radical monomers, organic peroxide and powdered water soluble reducing compound; high adhesive strength against wetting material; teeth and bone restoration KURARAY MEDICAL INC. (JP) 2008-04-03 US disclosed
EP-1780223-A1 REDOX CURING-TYPE NONAQUEOUS CURABLE COMPOSITION Kuraray Medical Inc. (JP) 2007-05-02 EP disclosed
EP-0821931-A2 Metal fluoride particles and a dental composition including said metal fluoride particles KURARAY CO., LTD. (JP) 1998-02-04 EP disclosed
EP-0408357-A2 Polymerizable composition KURARAY CO., LTD. (JP) 1991-01-16 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 (1 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-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION LPO, CDH1, GPX4 GABRA1 4026/4885GABRB2 4475/4885FABP3 4728/4885

“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.