SCHEMBL9853953

SCHEMBL9853953

CCCC(c1cc(C2CCCCC2)c(O)cc1C)(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C2CCCCC2)c(O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.39
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
CNR2 P34972 8/20 0.36
HSP90AA1 P07900 1/20 0.35
ESR1 P03372 2/20 0.34
AR P10275 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL836804 0.81 NUDT1 (0.38) CNR1NUDT1BACE1CNR2HSP90AA1
SCHEMBL30104451 0.80 NUDT1 (0.39) CNR1NUDT1BACE1CNR2HSP90AA1
SCHEMBL27411644 0.80 NUDT1 (0.39) CNR1NUDT1BACE1CNR2HSP90AA1
SCHEMBL1245161 0.76 NUDT1 (0.45) CNR1NUDT1BACE1CNR2HSP90AA1
SCHEMBL29623065 0.75 ESR1 (0.39) CNR1NUDT1BACE1HSP90AA1ESR1
SCHEMBL30320264 0.75 ESR1 (0.39) CNR1NUDT1BACE1HSP90AA1ESR1
SCHEMBL278477 0.75 ESR1 (0.39) CNR1NUDT1BACE1HSP90AA1ESR1
SCHEMBL29007729 0.75 NUDT1 (0.43) CNR1NUDT1BACE1CNR2HSP90AA1
SCHEMBL68884 0.74 NUDT1 (0.44) CNR1NUDT1BACE1CNR2HSP90AA1
SCHEMBL15675992 0.74 ESR1 (0.48) ESR1ARESR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529819-B2 Recording material and compound NIPPON SODA CO., LTD. (JP) 2022-12-20 US disclosed
US-20200086669-A1 RECORDING MATERIAL AND COMPOUND NIPPON SODA CO., LTD. (JP) 2020-03-19 US disclosed
EP-2964468-A1 THERMOSENSITIVE RECORDING MATERIAL Ricoh Company, Ltd. (JP) 2016-01-13 EP disclosed
WO-2014136988-A1 THERMOSENSITIVE RECORDING MATERIAL RICOH COMPANY, LTD. (JP) 2014-09-12 WO disclosed
EP-0422680-A2 Heat-sensitive recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1991-04-17 EP 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 (2 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-11529819-B2 Recording material and compound H1-0, DOT1L, H1-4 CNR1 906/4885NUDT1 520/4885BACE1 413/4885
US-20200086669-A1 RECORDING MATERIAL AND COMPOUND H1-0, DOT1L, H1-4 CNR1 906/4885NUDT1 520/4885BACE1 413/4885

“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.