SCHEMBL25756313

SCHEMBL25756313

Cc1c(O)c(C(=O)O)cc(I)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
TPMT P51580 1/20 0.43
HMGB1 P09429 1/20 0.43
CXCL12 P48061 1/20 0.43
GRM1 Q13255 1/20 0.42
TTR P02766 1/20 0.41
AKR1C2 P52895 3/20 0.38
AKR1C1 Q04828 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
AKR1C4 P17516 2/20 0.38
AKR1C3 P42330 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CSNK2A1 P68400 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9518292 0.86 TP53 (0.46) TP53HMGB1CXCL12GRM1TTR
SCHEMBL25756303 0.84 HMGB1 (0.47) TP53HMGB1CXCL12GRM1TTR
SCHEMBL607243 0.81 TP53 (0.58) TP53TPMTHMGB1CXCL12TTR
SCHEMBL30211325 0.81 TP53 (0.58) TP53TPMTHMGB1CXCL12TTR
SCHEMBL18281063 0.80 TP53 (0.45) TP53TPMTHMGB1CXCL12GRM1
SCHEMBL23803710 0.79 TP53 (0.56) TP53TPMTHMGB1CXCL12TTR
SCHEMBL25756297 0.78 HMGB1 (0.48) TP53HMGB1CXCL12GRM1TTR
SCHEMBL10942697 0.77 TP53 (0.53) TP53TPMTHMGB1CXCL12TTR
SCHEMBL31491424 0.77 TP53 (0.58) TP53TPMTHMGB1CXCL12TTR
SCHEMBL27185904 0.76 HMGB1 (0.47) TP53HMGB1CXCL12GRM1AKR1C2

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-20230190792-A1 TOPICAL PREPARATIONS Epitheal Limited (IE) 2023-06-22 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-20230190792-A1 TOPICAL PREPARATIONS SLC39A11, SLC30A5, SLC30A7 TP53 308/4885TPMT 506/4885HMGB1 1310/4885

“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.