SCHEMBL668333

SCHEMBL668333

C[N+](C)(C)Cc1ccccc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
CYP17A1 P05093 5/20 0.37
CYP19A1 P11511 5/20 0.37
HSD11B1 P28845 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
MGLL Q99685 1/20 0.35
GABBR2 O75899 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
SCHEMBL668332 0.92 RECQL (0.37) ALDH1A1GAARECQLSMN1; SMN2HPGD
SCHEMBL16820423 0.86 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL75500 0.81 PRKCA (0.42) ALDH1A1GAACYP17A1CYP19A1KDM4E
SCHEMBL14479483 0.81 PRKCA (0.42) ALDH1A1GAACYP17A1CYP19A1KDM4E
SCHEMBL17578294 0.81 PRKCA (0.42) ALDH1A1GAACYP17A1CYP19A1KDM4E
SCHEMBL18762053 0.80 PRKCA (0.41) ALDH1A1GAACYP17A1CYP19A1KDM4E
SCHEMBL668249 0.80 PRKCA (0.41) ALDH1A1GAACYP17A1CYP19A1KDM4E
SCHEMBL18762055 0.80 PRKCA (0.41) ALDH1A1GAACYP17A1CYP19A1KDM4E
SCHEMBL16820422 0.80
SCHEMBL16820467 0.80 MGLL (0.30) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10078264-B2 Resist composition, patterning process, and barium, cesium and cerium salts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-09-18 US disclosed
US-20170115566-A1 RESIST COMPOSITION, PATTERNING PROCESS, AND BARIUM, CESIUM AND CERIUM SALTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-27 US disclosed
US-20160334706-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-17 US disclosed
US-8597869-B2 Sulfonium salt, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-12-03 US disclosed
US-8535869-B2 Sulfonium salt, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20120100486-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-26 US disclosed
US-20120045724-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-23 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 (4 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-20170115566-A1 RESIST COMPOSITION, PATTERNING PROCESS, AND BARIUM, CESIUM AND CERIUM SALTS CASR, LIFR, LBR ALDH1A1 4520/4885GAA 1776/4885RECQL 2526/4885
US-20120100486-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS STS, SLC6A5, SLC6A9 ALDH1A1 3978/4885GAA 3046/4885RECQL 4491/4885
US-10078264-B2 Resist composition, patterning process, and barium, cesium and cerium salts CASR, LIFR, LBR ALDH1A1 4520/4885GAA 1776/4885RECQL 2526/4885
US-20120045724-A1 SULFONIUM SALT, RESIST COMPOSITION, AND PATTERNING PROCESS SLC6A5, NES, STS ALDH1A1 3412/4885GAA 2026/4885RECQL 4427/4885

“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.