SCHEMBL20896992

SCHEMBL20896992

C[N+](C)(C)Cc1ccccc1.O=C(CCCCl)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CETP P11597 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
LPAR1 Q92633 3/20 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
SCHEMBL1322326 0.83
SCHEMBL2133082 0.82 ALDH1A1 (0.38) KDM4EALDH1A1TDP1MMP9
SCHEMBL6117737 0.80 KDM4E (0.36) KDM4EALDH1A1TDP1
SCHEMBL20896993 0.79 TDP1 (0.31) ALDH1A1TDP1
SCHEMBL28446583 0.76 MGLL (0.33) KDM4EALDH1A1TDP1
SCHEMBL1322330 0.75 MGLL (0.32)
SCHEMBL16820490 0.75 TDP1 (0.32) KDM4EALDH1A1TDP1
SCHEMBL668332 0.75 RECQL (0.37) KDM4EALDH1A1LMNA
SCHEMBL26827993 0.75 ALDH1A1 (0.34) KDM4EALDH1A1TDP1LMNA
SCHEMBL2131788 0.74 ALDH1A1 (0.46) KDM4EALDH1A1TDP1

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-11163232-B2 Resist composition, patterning process, and barium salt SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-02 US disclosed
US-20190113846-A1 RESIST COMPOSITION, PATTERNING PROCESS, AND BARIUM SALT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 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-11163232-B2 Resist composition, patterning process, and barium salt LBR, SMARCC2, SMARCC1 KDM4E 2771/4885ALDH1A1 4751/4885TDP1 3711/4885

“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.