SCHEMBL24424975

SCHEMBL24424975

c1c([C@@H]2CO2)cc([C@H]2CO2)cc1[C@H]1CO1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PARP1 P09874 1/20 0.40
GSTO1 P78417 1/20 0.34
ADRA2A P08913 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PTAFR P25105 2/20 0.30
PTPN1 P18031 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL46283 0.82 TSHR (0.67) TSHRPARP1GSTO1ADRA2ACHRM2
SCHEMBL14753778 0.80 TSHR (0.39) TSHRPARP1GSTO1CHRM2CHRM4
SCHEMBL11408352 0.80 TSHR (0.44) TSHRPARP1CHRM2CHRM4CHRM1
SCHEMBL16413144 0.80 TSHR (0.44) TSHRPARP1GSTO1CHRM2CHRM4
SCHEMBL18993098 0.80 TSHR (0.44) TSHRPARP1GSTO1
SCHEMBL6301377 0.80 TSHR (0.44) TSHRPARP1GSTO1
SCHEMBL7053297 0.80 TSHR (0.44) TSHRPARP1GSTO1
SCHEMBL17334003 0.78 TSHR (0.48) TSHRPARP1GSTO1ADRA2ACHRM2
SCHEMBL7053649 0.78 TSHR (0.42) TSHRPARP1GSTO1
SCHEMBL532105 0.74 HTR1A (0.40) TSHRCHRM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144733-A1 HEXASUBSTITUTED BENZENES, SURFACES MODIFIED THEREWITH, AND ASSOCIATED METHODS Countertrace, LLC (US) 2022-05-12 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-20220144733-A1 HEXASUBSTITUTED BENZENES, SURFACES MODIFIED THEREWITH, AND ASSOCIATED METHODS CBR3, BRD3, CBX3 TSHR 654/4885PARP1 2262/4885GSTO1 2455/4885

“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.