SCHEMBL31695158

SCHEMBL31695158

O=C1CCc2ccc(I)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.59
▸ TDP2 O95551 2/20 0.47
▸ TYMS P04818 3/20 0.46
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BRD4 O60885 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HSD17B1 P14061 1/20 0.39
▸ CES1 P23141 2/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ PNMT P11086 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ IL4I1 Q96RQ9 1/20 0.37
▸ GRM5 P41594 1/20 0.37

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
SCHEMBL10138376 1.00 PBRM1 (0.59) PBRM1TDP2TYMSCASP1CASP7
SCHEMBL12500758 0.88 MAOA (0.48) PBRM1TDP2TYMSHSD17B1CES1
SCHEMBL3665755 0.88 MAOA (0.53) PBRM1TDP2TYMSHSD17B1CES1
SCHEMBL6370185 0.84 TDP2 (0.48) PBRM1TDP2TYMSCES1TGM2
SCHEMBL16082766 0.83 CASP1 (0.59) PBRM1TDP2CASP1CASP7HSD17B10
SCHEMBL8501316 0.80 TDP2 (0.58) PBRM1TDP2TYMSCES1TGM2
SCHEMBL5546838 0.76 PBRM1 (0.61) PBRM1TYMSCASP1CASP7HSD17B10
SCHEMBL1151032 0.74 PBRM1 (0.59) PBRM1TYMSCASP1CASP7HSD17B10
SCHEMBL7891254 0.74 PBRM1 (0.59) PBRM1TYMSCASP1CASP7HSD17B10
SCHEMBL8871212 0.74 PBRM1 (0.59) PBRM1TYMSCASP1CASP7HSD17B10

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-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 — — 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-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 PBRM1 4863/4885TDP2 2424/4885TYMS 1409/4885

“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.

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