SCHEMBL2322601

SCHEMBL2322601

CC(C)c1cc(C(C)C)c(S(=O)(=O)O)c(C(C)C)c1.[NaH]

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.96
FABP3 P05413 2/20 0.96
FABP5 Q01469 1/20 0.96
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC1 Q13547 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
NR3C1 P04150 1/20 0.38
EPHX2 P34913 1/20 0.38
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL86091 0.98 FABP4 (1.00) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL28511172 0.96 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL28654070 0.96 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
Hydrochloric Acid SCHEMBL6374692 0.96 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL17985319 0.96 FABP4 (0.96) FABP4FABP3FABP5GABRA1GABRB2
Tetramethylammonium Ion SCHEMBL592343 0.92 FABP4 (0.89) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL12162268 0.90 FABP4 (0.85) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL14022220 0.89 FABP4 (0.82) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL12982857 0.89 FABP4 (0.82) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL2607717 0.87 FABP4 (0.79) FABP4FABP3FABP5GABRA1GABRB2

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
CN-117597099-A Curable composition for dental use 可乐丽则武齿科株式会社 2024-02-23 CN disclosed
CN-113677293-B Curable composition for dental restoration 可乐丽则武齿科株式会社 2023-10-10 CN disclosed
CN-116367806-A Curable composition for dentistry having excellent color tone adaptability 可乐丽则武齿科株式会社 2023-06-30 CN disclosed
CN-106413666-B Dental cement 可乐丽则武齿科株式会社 2020-07-28 CN disclosed
US-8962233-B2 Actinic-ray—or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-02-24 US disclosed
US-20110189609-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-08-04 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 (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-20110189609-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION ARSA, RER1, TERB1 FABP4 1145/4885FABP3 1762/4885FABP5 1688/4885

“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.