SCHEMBL10172852

SCHEMBL10172852

O=C(OCCCCS(=O)(=O)O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 5/20 0.48
TSHR P16473 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10172830 0.95 ALDH1A1 (0.50) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL10172879 0.89 ALDH1A1 (0.52) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL31337846 0.87 ALDH1A1 (0.59) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL15256939 0.84 ALDH1A1 (0.59) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL11039202 0.81 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL891541 0.80 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL27782256 0.80 ALDH1A1 (0.52) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL15999899 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL7755246 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKMT2ATSHRMAPT
SCHEMBL25291024 0.79 ALDH1A1 (0.64) ALDH1A1LMNAKMT2ATSHRMAPT

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 1300/4885LMNA 3748/4885KMT2A 2301/4885

“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.