SCHEMBL13447604

SCHEMBL13447604

O=S(=O)(F)C(F)(F)COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SCN9A Q15858 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4112445 0.84 SCN9A (0.33) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
Carbon Monoxide SCHEMBL1262660 0.75 MMP2 (0.32) CYP1A2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL26064079 0.72 TSHR (0.44) NPSR1TSHR
SCHEMBL20086266 0.72 GRIN2D (0.37) TSHRALDH1A1
SCHEMBL13447601 0.72 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL18195909 0.72
SCHEMBL15999320 0.71 ALDH1A1 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL13239942 0.70 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL12912769 0.69 SCN9A (0.32) SCN9ALMNA
SCHEMBL3419284 0.69 NPSR1 (0.33) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012129-B2 Resist composition, method of forming resist pattern, novel compound, and acid generator TOKYO OHKA KOGYO CO., LTD. (JO) 2015-04-21 US disclosed
US-20140120472-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR TOKYO OHKA KOGYO CO., LTD. (JP) 2014-05-01 US disclosed
US-8415085-B2 Resist composition, method of forming resist pattern, novel compound, and acid generator TOKYO OHKA KOGYO CO., LTD. (JP) 2013-04-09 US disclosed
US-20120264061-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR TOKYO OHKA KOGYO CO., LTD. (JP) 2012-10-18 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-20120264061-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR C1R, RER1, ASIC1 CYP1A2 2467/4885CYP3A4 3542/4885CYP2C9 2395/4885

“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.