SCHEMBL10172834

SCHEMBL10172834

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.34
HTT P42858 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
SCHEMBL10172823 0.86 LMNA (0.47) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL10172812 0.79 ALDH1A1 (0.51) ALDH1A1LMNAGAAPOLB
SCHEMBL15426625 0.78 LMNA (0.49) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL12556624 0.76 ALDH1A1 (0.46) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL16214016 0.76 ALDH1A1 (0.51) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL10172854 0.75 ALDH1A1 (0.50) ALDH1A1LMNAGAAPOLB
SCHEMBL16214034 0.75 ALDH1A1 (0.50) ALDH1A1THRBMEN1KMT2ALMNA
SCHEMBL16214830 0.74 ALDH1A1 (0.49) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL4453118 0.74 ALDH1A1 (0.65) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL16214876 0.73 ALDH1A1 (0.48) ALDH1A1THRBMEN1KMT2AMAPT

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 ALDH1A1 1300/4885THRB 1289/4885MEN1 48/4885

“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.