SCHEMBL10172868

SCHEMBL10172868

O=C(OCCCCS(=O)(=O)O)c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.61
TSHR P16473 2/20 0.61
CYP2D6 P10635 2/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
NR1H2 P55055 1/20 0.61
RNASEL Q05823 1/20 0.61
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
KDR P35968 1/20 0.56
ESR2 Q92731 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50

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
SCHEMBL28588190 0.98 ESR1 (0.59) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL10172838 0.95 ESR1 (0.63) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL10172875 0.88 ESR1 (0.61) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL2880231 0.86 ESR1 (0.79) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL10172853 0.85 TDP1 (0.73) ESR1LMNASMN1; SMN2MAPK1TDP1
SCHEMBL10760934 0.84 ESR1 (0.76) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL8638754 0.84 ESR1 (0.76) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL9674690 0.84 ESR1 (0.76) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL1548913 0.84 ESR1 (0.76) ESR1TSHRCYP2D6LMNASMN1; SMN2
SCHEMBL8638181 0.82 ESR1 (0.79) ESR1TSHRCYP2D6LMNASMN1; 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 282/4885TSHR 1556/4885CYP2D6 1335/4885

“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.