SCHEMBL8736277

SCHEMBL8736277

COc1ccc([S+]2CCCC2)c2cc(C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 2/20 0.35
KMT2A Q03164 2/20 0.35
EP300 Q09472 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.33
NQO1 P15559 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12172603 0.84 CA12 (0.43) ALDH1A1CYP3A4TSHRIDO1KMT2A
SCHEMBL135116 0.80 IDO1 (0.47) ALDH1A1IDO1KMT2AEP300KAT8
SCHEMBL30544384 0.80 IDO1 (0.47) ALDH1A1IDO1KMT2AEP300KAT8
SCHEMBL12256955 0.79 IDO1 (0.46) ALDH1A1IDO1USP2KMT2AEP300
SCHEMBL30003276 0.77 ACHE (0.62) ACHEALDH1A1CYP3A4TSHRIDO1
SCHEMBL11149087 0.77 ACHE (0.62) ACHEALDH1A1CYP3A4TSHRIDO1
Perchlorate SCHEMBL11667591 0.76 ACHE (0.44) ACHEALDH1A1CYP3A4TSHRGAA
SCHEMBL6564717 0.73 IDO1 (0.39) ALDH1A1CYP3A4TSHRIDO1USP2
SCHEMBL12172610 0.70 KMT2A (0.40) ALDH1A1IDO1GAAUSP2KMT2A
SCHEMBL2019633 0.69 ACHE (0.52) ACHEALDH1A1CYP3A4IDO1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129100-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2012-05-24 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-20120129100-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE SAME ACTR8, RAD51, ACTR2 ACHE 2078/4885ALDH1A1 2640/4885CYP3A4 4440/4885

“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.