SCHEMBL10172838

SCHEMBL10172838

O=C(OCCCS(=O)(=O)O)c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.63
LMNA P02545 4/20 0.63
TSHR P16473 3/20 0.63
CYP2D6 P10635 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP1A2 P05177 2/20 0.63
MAPK1 P28482 2/20 0.63
CYP2C19 P33261 2/20 0.63
NR1H2 P55055 1/20 0.63
RNASEL Q05823 1/20 0.63
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CHRM1 P11229 1/20 0.57
SLC6A2 P23975 1/20 0.57
KDR P35968 1/20 0.57
ESR2 Q92731 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL10172868 0.95 ESR1 (0.61) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL28588190 0.94 ESR1 (0.59) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL10172875 0.90 ESR1 (0.61) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL10172828 0.85 TDP1 (0.70) ESR1LMNATSHRSMN1; SMN2MAPK1
SCHEMBL8638181 0.84 ESR1 (0.79) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL2880231 0.84 ESR1 (0.79) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL10172840 0.83 CA12 (0.51) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL26312911 0.83 STS (0.47) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL10760934 0.82 ESR1 (0.76) ESR1LMNATSHRCYP2D6SMN1; SMN2
SCHEMBL9674690 0.82 ESR1 (0.76) ESR1LMNATSHRCYP2D6SMN1; SMN2

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 ESR1 282/4885LMNA 3748/4885TSHR 1556/4885

“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.