SCHEMBL12307052

SCHEMBL12307052

C=CCOC(=O)/C(C#N)=C1/SCC(=O)N1CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.44
▸ PLK1 P53350 2/20 0.42
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DHODH Q02127 8/20 0.37
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL3904192 0.88 PLK1 (0.50) PLK1KMT2AMEN1MAPK1USP2
SCHEMBL3904188 0.88 PLK1 (0.50) PLK1KMT2AMEN1MAPK1USP2
SCHEMBL12307050 0.87 MEN1 (0.41) NPSR1PLK1KMT2AMEN1MAPK1
SCHEMBL3905980 0.79 MAPT (0.48) NPSR1KMT2AMEN1MAPK1THRB
SCHEMBL3905983 0.79 MAPT (0.48) NPSR1KMT2AMEN1MAPK1THRB
SCHEMBL12307221 0.76 DHODH (0.54) NPSR1KMT2AMEN1POLBHSD17B10
SCHEMBL14574219 0.75 MAPT (0.44) NPSR1KMT2AMEN1MAPK1DHODH
SCHEMBL6088005 0.74 MAPT (0.55) NPSR1KMT2AMEN1MAPK1DHODH
SCHEMBL6088011 0.74 MAPT (0.55) NPSR1KMT2AMEN1MAPK1DHODH
SCHEMBL6087023 0.73 MAPT (0.49) NPSR1KMT2AMEN1MAPK1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9424998-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2016-08-23 — — US disclosed
EP-2845882-A2 Dye, Photoelectric Conversion Element and Photoelectrochemical Cell Fujifilm Corporation (JP) 2015-03-11 — — EP disclosed
US-8779126-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2014-07-15 — — US disclosed
US-20110213144-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME, PHOTOELECTROCHEMICAL CELL, AND METHOD OF PRODUCING DYE FUJIFILM CORPORATION (JP) 2011-09-01 — — 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-20110213144-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME, PHOTOELECTROCHEMICAL CELL, AND METHOD OF PRODUCING DYE CYBA, SCN3A, CRY1 NPSR1 3135/4885PLK1 3710/4885KMT2A 1775/4885

“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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