SCHEMBL31366289

SCHEMBL31366289

CCCCCCCCCCCC(=O)c1ccc(CBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.67
THRA P10827 6/20 0.67
THRB P10828 6/20 0.67
S1PR5 Q9H228 1/20 0.55
HTR7 P34969 1/20 0.54
STS P08842 4/20 0.54
S1PR2 O95136 1/20 0.53
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
LPAR2 Q9HBW0 1/20 0.53

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
SCHEMBL27455127 1.00 HSD17B3 (0.67) HSD17B3THRATHRBS1PR5HTR7
SCHEMBL7758945 1.00 HSD17B3 (0.67) HSD17B3THRATHRBS1PR5HTR7
SCHEMBL15743522 1.00 HSD17B3 (0.67) HSD17B3THRATHRBS1PR5HTR7
SCHEMBL13085794 0.87 HSD17B3 (0.85) HSD17B3THRATHRBHTR7STS
SCHEMBL13085847 0.87 HSD17B3 (0.85) HSD17B3THRATHRBHTR7STS
SCHEMBL11490234 0.87 THRA (0.77) HSD17B3THRATHRBS1PR5
SCHEMBL7934415 0.87 THRA (0.77) HSD17B3THRATHRBS1PR5
SCHEMBL15199330 0.86 HSD17B3 (0.71) HSD17B3THRATHRBS1PR5HTR7
SCHEMBL12303994 0.86 HSD17B3 (0.71) HSD17B3THRATHRBS1PR5HTR7
SCHEMBL507985 0.85 HSD17B3 (0.62) HSD17B3THRATHRBHTR7STS

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-20240408214-A1 NANOPARTICULATE MONOBENZONE FOR TREATING MELANOMA NORTHWESTERN UNIVERSITY 2024-12-12 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-20240408214-A1 NANOPARTICULATE MONOBENZONE FOR TREATING MELANOMA TYR, CD47, SDHB HSD17B3 2325/4885THRA 3668/4885THRB 2073/4885

“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.