SCHEMBL10172823

SCHEMBL10172823

O=C(CC12CC3CC(CC(C3)C1)C2)OCCCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 6/20 0.46
THRB P10828 1/20 0.46
EPHX2 P34913 5/20 0.45
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTP4A3 O75365 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
BPTF Q12830 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL15426625 0.91 LMNA (0.49) LMNAALDH1A1THRBEPHX2MAPT
SCHEMBL10172834 0.86 ALDH1A1 (0.52) LMNAALDH1A1THRBEPHX2MAPT
SCHEMBL4126416 0.83 LMNA (0.48) LMNAALDH1A1THRBEPHX2MAPT
SCHEMBL23691445 0.81 ALDH1A1 (0.43) LMNAALDH1A1THRBEPHX2MAPT
SCHEMBL14769567 0.81 LMNA (0.51) LMNAALDH1A1THRBEPHX2MAPT
SCHEMBL27716428 0.80 EPHX2 (0.61) LMNAALDH1A1THRBEPHX2MAPT
SCHEMBL10172817 0.78 ALDH1A1 (0.45) ALDH1A1EPHX2MAPTMEN1KMT2A
SCHEMBL25288877 0.77 EPHX2 (0.52) LMNAALDH1A1THRBEPHX2MAPT
SCHEMBL14644921 0.76 LMNA (0.60) LMNAALDH1A1THRBMAPTBPTF
SCHEMBL10531350 0.76 LMNA (0.53) LMNAALDH1A1THRBEPHX2MAPT

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 LMNA 3748/4885ALDH1A1 1300/4885THRB 1289/4885

“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.