SCHEMBL25908962

SCHEMBL25908962

COCCOCCOCCOCc1cn(CC(C)(C)C)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.46
HSP90AB1 P08238 5/20 0.38
CYP19A1 P11511 1/20 0.35
NCF1 P14598 4/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
ABCC1 P33527 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
GGPS1 O95749 1/20 0.33
ABCB1 P08183 1/20 0.33
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33

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
SCHEMBL18467076 0.88 HSP90AB1 (0.38) DGAT1HSP90AB1NCF1MMP2MMP9
SCHEMBL12092344 0.85 NOTUM (0.41) DGAT1HSP90AB1CYP19A1GGPS1
SCHEMBL12033272 0.84 DGAT1 (0.47) DGAT1HSP90AB1CYP19A1NCF1CYBB
SCHEMBL12033268 0.84 DGAT1 (0.53) DGAT1HSP90AB1NCF1ABCC1ABCG2
SCHEMBL24016423 0.84 HSP90AB1 (0.39) DGAT1HSP90AB1CYP19A1NCF1GGPS1
SCHEMBL12092336 0.83 GGPS1 (0.41) CYP19A1GGPS1
SCHEMBL20670747 0.83 HSP90AB1 (0.40) DGAT1HSP90AB1CYP19A1GGPS1
SCHEMBL20650987 0.83 P2RX7 (0.47) HSP90AB1CYP19A1GGPS1
SCHEMBL12092354 0.82 DGAT1 (0.42) DGAT1HSP90AB1MMP2MMP9MMP8
SCHEMBL12092365 0.82 DGAT1 (0.42) DGAT1HSP90AB1MMP2MMP9MMP8

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-20230219933-A1 STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-07-13 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-20230219933-A1 STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES FCGR3B, MYADM, FCGR2A DGAT1 4636/4885HSP90AB1 3844/4885CYP19A1 4080/4885

“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.