SCHEMBL4119748

SCHEMBL4119748

Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC1CCC(COC(=O)C23CCC(C)(C(=O)O2)C3(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTBP1 P26599 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4113887 0.87 HTT (0.45) HTTNPSR1KMT2AMEN1TSHR
SCHEMBL4111876 0.83 HTT (0.56) HTTNPSR1KMT2AMEN1TSHR
SCHEMBL4120057 0.79 KMT2A (0.54) HTTKMT2AMEN1TSHRL3MBTL1
SCHEMBL4125898 0.77 HTT (0.62) HTTNPSR1KMT2AMEN1TSHR
SCHEMBL4120061 0.75 HTT (0.60) HTTNPSR1KMT2AMEN1TSHR
SCHEMBL4111731 0.73 KMT2A (0.56) HTTKMT2AMEN1TSHRL3MBTL1
SCHEMBL3746002 0.71 NPSR1 (0.57) HTTNPSR1KMT2AMEN1TSHR
SCHEMBL4124397 0.70 HTT (0.62) HTTNPSR1KMT2AMEN1TSHR
SCHEMBL25629418 0.68 HTT (0.56) HTTNPSR1KMT2AMEN1TSHR
SCHEMBL15034631 0.66 HTT (0.54) HTTNPSR1KMT2AMEN1TSHR

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 4198/4885NPSR1 593/4885KMT2A 3442/4885

“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.