SCHEMBL4119740

SCHEMBL4119740

Cc1cc([S+]2CCCCC2)cc(C)c1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
POLB P06746 5/20 0.47
GAA P10253 4/20 0.44
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4120036 0.99 HTT (0.58) HTTPOLBGAATSHRL3MBTL1
SCHEMBL4125898 0.81 HTT (0.62) HTTPOLBGAATSHRL3MBTL1
SCHEMBL4124397 0.81 HTT (0.62) HTTPOLBGAATSHRL3MBTL1
SCHEMBL4111671 0.79 HTT (0.53) HTTPOLBGAATSHRL3MBTL1
SCHEMBL15034673 0.79 HTT (0.63) HTTPOLBGAATSHRL3MBTL1
SCHEMBL4113879 0.77 HTT (0.50) HTTPOLBGAATSHRL3MBTL1
SCHEMBL4111876 0.75 HTT (0.56) HTTPOLBGAATSHRL3MBTL1
SCHEMBL4120061 0.74 HTT (0.60) HTTPOLBGAATSHRL3MBTL1
SCHEMBL98168 0.69 GAA (0.43) HTTPOLBGAATSHRL3MBTL1
SCHEMBL16273774 0.68 HTT (0.60) HTTPOLBGAATSHRL3MBTL1

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 90/4885GAA 2732/4885

“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.