SCHEMBL4124397

SCHEMBL4124397

Cc1cc([S+](C)C)cc(C)c1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
POLB P06746 4/20 0.52
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4125898 0.93 HTT (0.62) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL4111876 0.87 HTT (0.56) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL4120061 0.86 HTT (0.60) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL15034673 0.84 HTT (0.63) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL4120036 0.81 HTT (0.58) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL4119740 0.81 HTT (0.57) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL25629418 0.80 HTT (0.56) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL4111671 0.77 HTT (0.53) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL4113879 0.75 HTT (0.50) HTTPOLBTSHRL3MBTL1ALDH1A1
SCHEMBL4113887 0.73 HTT (0.45) HTTPOLBTSHRL3MBTL1ALDH1A1

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-9017919-B2 Resist composition, method of forming resist pattern, novel compound and acid generator TOKYO OHKA KOGYO CO., LTD. (JP) 2015-04-28 US disclosed
US-20120107744-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND AND ACID GENERATOR TOKYO OHKA KOGYO CO., LTD. (JP) 2012-05-03 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-20120107744-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND AND ACID GENERATOR SLC11A2, ABCC1, ASIC1 HTT 4198/4885POLB 90/4885TSHR 2607/4885

“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.