SCHEMBL10172810

SCHEMBL10172810

O=C(O)C12CC3CC(C1)CC(C(=O)OCCCS(=O)(=O)O)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 4/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
PRKCA P17252 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL10172809 0.88 NPSR1 (0.52) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL10172812 0.86 ALDH1A1 (0.51) NPSR1L3MBTL1ALDH1A1LMNAGAA
SCHEMBL20008913 0.86 NPSR1 (0.57) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL10172817 0.86 ALDH1A1 (0.45) NPSR1PKMALDH1A1MEN1KMT2A
SCHEMBL10172854 0.83 ALDH1A1 (0.50) NPSR1L3MBTL1ALDH1A1LMNAGAA
SCHEMBL10067116 0.81 ALDH1A1 (0.44) NPSR1PKMALDH1A1MEN1KMT2A
SCHEMBL29135724 0.80 NPSR1 (0.55) NPSR1L3MBTL1PKMALDH1A1
SCHEMBL29135604 0.79 NPSR1 (0.60) NPSR1L3MBTL1PKMALDH1A1LMNA
SCHEMBL14648949 0.78 NPSR1 (0.43) NPSR1L3MBTL1PKMALDH1A1LMNA
SCHEMBL10172880 0.78 ALDH1A1 (0.53) NPSR1L3MBTL1ALDH1A1LMNAGAA

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 NPSR1 3120/4885L3MBTL1 1343/4885PKM 1371/4885

“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.