SCHEMBL10172809

SCHEMBL10172809

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10172810 0.88 NPSR1 (0.50) NPSR1ALDH1A1LMNAMAPTMEN1
SCHEMBL10172812 0.85 ALDH1A1 (0.51) NPSR1ALDH1A1LMNATSHRABL1
SCHEMBL20008913 0.84 NPSR1 (0.57) NPSR1ALDH1A1LMNARXFP1TSHR
SCHEMBL10172817 0.84 ALDH1A1 (0.45) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10172854 0.82 ALDH1A1 (0.50) NPSR1ALDH1A1LMNATSHRABL1
SCHEMBL16368851 0.80 NPSR1 (0.60) NPSR1ALDH1A1LMNARXFP1TSHR
SCHEMBL10067116 0.80 ALDH1A1 (0.44) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14648938 0.80 NPSR1 (0.45) NPSR1ALDH1A1LMNARXFP1TSHR
SCHEMBL12376743 0.79 NPSR1 (0.42) NPSR1ALDH1A1LMNARXFP1MEN1
SCHEMBL25844993 0.78 NPSR1 (0.41) NPSR1ALDH1A1LMNARXFP1TSHR

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 3120/4885ALDH1A1 1300/4885LMNA 3748/4885

“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.