SCHEMBL10172825

SCHEMBL10172825

O=C(Cc1ccccc1)OCCCS(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
PAM P19021 1/20 0.53
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.43
LTA4H P09960 1/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.42
PLA2G2A P14555 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MGLL Q99685 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL18775800 0.90 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL13291851 0.84 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL4570308 0.84 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL4911689 0.83 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL1434644 0.80 ALDH1A1 (0.73) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL27967239 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1PAMTSHR
SCHEMBL3396096 0.80 LMNA (0.66) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL8180121 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL24486923 0.79 CA12 (0.47) ALDH1A1L3MBTL1MAPK1TDP1TSHR
SCHEMBL4207976 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1PAMTDP1

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 1300/4885L3MBTL1 1343/4885MAPK1 644/4885

“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.