SCHEMBL3781973

SCHEMBL3781973

CCCCCCNc1ccc(C(=O)O)c(NCCCCCC)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.62
CISD1 Q9NZ45 7/20 0.53
KDM6B O15054 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
ABL1 P00519 1/20 0.48
HCAR3 P49019 1/20 0.47
PPARA Q07869 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL11307705 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11320812 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11320571 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11318599 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11316566 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11313036 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11307858 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11309283 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11307721 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA
SCHEMBL11306890 0.88 PLK1 (0.58) PLK1CISD1ABL1HCAR3PPARA

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-20100322881-A1 UVB FILTER BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-12-23 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-20100322881-A1 UVB FILTER BASED ON ASCORBIC ACID DERIVATIVES C1R, VDR, CYP2R1 PLK1 3510/4885CISD1 581/4885KDM6B 2796/4885

“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.