SCHEMBL10172854

SCHEMBL10172854

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 2/20 0.49
ABL1 P00519 1/20 0.42
TSHR P16473 1/20 0.42
RIN1 Q13671 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
HSD11B1 P28845 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL10172812 0.96 ALDH1A1 (0.51) ALDH1A1NPSR1ABL1TSHRRIN1
SCHEMBL10172880 0.91 ALDH1A1 (0.53) ALDH1A1NPSR1ABL1TSHRRIN1
SCHEMBL10067116 0.86 ALDH1A1 (0.44) ALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL10172810 0.83 NPSR1 (0.50) ALDH1A1NPSR1GAAL3MBTL1LMNA
SCHEMBL20008913 0.82 NPSR1 (0.57) ALDH1A1NPSR1ABL1TSHRRIN1
SCHEMBL10172817 0.82 ALDH1A1 (0.45) ALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL10172809 0.82 NPSR1 (0.52) ALDH1A1NPSR1ABL1TSHRRIN1
SCHEMBL7459150 0.81 NPSR1 (0.57) ALDH1A1NPSR1ABL1TSHRRIN1
SCHEMBL18232630 0.80 ALDH1A1 (0.46) ALDH1A1NPSR1ABL1TSHRRIN1
SCHEMBL11959259 0.80 ALDH1A1 (0.59) ALDH1A1NPSR1ABL1TSHRRIN1

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 1300/4885NPSR1 3120/4885ABL1 1054/4885

“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.