SCHEMBL2321609

SCHEMBL2321609

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NR1I2 O75469 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ATP2A2 P16615 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP2A3 Q93084 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 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
SCHEMBL1955545 0.98 GABRA1 (0.39) GABRA1GABRB2NR1I2GABBR2GABBR1
SCHEMBL15033919 0.86 ALDH1A1 (0.40) GABRA1GABRB2NR1I2GABBR2GABBR1
SCHEMBL9352130 0.81 ALDH1A1 (0.43) GABRA1GABRB2NR1I2GABBR2GABBR1
SCHEMBL12388724 0.81 SMN1; SMN2 (0.52) ALDH1A1CYP1A2KDM4EMAPTALOX15
SCHEMBL19434151 0.79 LCK (0.38) GABBR2GABBR1ALDH1A1CYP1A2KDM4E
Hydrochloric Acid SCHEMBL9351901 0.79 ALDH1A1 (0.42) GABRA1GABRB2NR1I2GABBR2GABBR1
SCHEMBL10750846 0.78 POLB (0.43) GABRA1GABRB2ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL19183776 0.78 EPHX2 (0.31) GABRA1GABRB2ALDH1A1EPHX2
SCHEMBL19193290 0.77 ALDH1A1 (0.45) GABRA1GABRB2ALDH1A1CYP1A2KDM4E
SCHEMBL6851698 0.76 CA2 (0.43) GABRA1GABRB2GABBR2GABBR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GABRA1 676/4885GABRB2 3130/4885NR1I2 2774/4885

“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.