SCHEMBL10172816

SCHEMBL10172816

O=C(CC1CC2CCC1C2)OCCCS(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL10172858 0.96 MEN1 (0.43) MEN1KMT2ATDP1SIRT5L3MBTL1
SCHEMBL10172863 0.92 MEN1 (0.45) MEN1KMT2ATDP1SIRT5L3MBTL1
SCHEMBL21578891 0.78 TDP1 (0.36) MEN1KMT2ATDP1SIRT5L3MBTL1
SCHEMBL32688760 0.78 SIRT5 (0.52) MEN1KMT2ATDP1SIRT5L3MBTL1
SCHEMBL10067078 0.77 POLB (0.41) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL18775645 0.76 CYP1A2 (0.38) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL12556607 0.74 MEN1 (0.40) MEN1KMT2ATDP1SIRT5L3MBTL1
SCHEMBL11603168 0.74 SIRT5 (0.54) MEN1KMT2ATDP1SIRT5L3MBTL1
SCHEMBL13706077 0.74 MEN1 (0.43) MEN1KMT2ATDP1SIRT5L3MBTL1
SCHEMBL16213965 0.74 SIRT5 (0.42) MEN1KMT2ATDP1SIRT5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 MEN1 48/4885KMT2A 2301/4885TDP1 3626/4885

“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.