SCHEMBL13739499

SCHEMBL13739499

C=C(C)C(=O)OCCCCOC(=O)/C(C#N)=C1\Sc2ccccc2N1CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.43
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PDF Q9HBH1 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ USP2 O75604 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ PKM P14618 3/20 0.39
▸ KDM1A O60341 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36

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
SCHEMBL13739774 0.90 BCHE (0.45) BCHEMAPTALDH1A1PDFMEN1
SCHEMBL13739413 0.89 PDF (0.42) BCHEMAPTALDH1A1PDFMEN1
SCHEMBL13588672 0.88 MAPT (0.46) BCHEMAPTALDH1A1PDFMEN1
SCHEMBL13739496 0.86 MEN1 (0.42) BCHEMAPTALDH1A1PDFMEN1
SCHEMBL13741035 0.86 MAPT (0.43) BCHEMAPTALDH1A1PDFMEN1
SCHEMBL13739366 0.86 PDF (0.43) BCHEMAPTALDH1A1PDFMEN1
SCHEMBL10092174 0.84 PDF (0.47) BCHEMAPTALDH1A1PDFMEN1
SCHEMBL13739392 0.84 TP53 (0.34) MAPTALDH1A1PDFMEN1USP2
SCHEMBL13751330 0.83 BCHE (0.43) BCHEALDH1A1PDFMEN1KMT2A
SCHEMBL13740681 0.81 BCHE (0.42) BCHEMAPTALDH1A1PDFMEN1

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-20090202921-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-13 — — 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-20090202921-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM CHRNA6, NR2E3, NR4A1 BCHE 3320/4885MAPT 3663/4885ALDH1A1 2608/4885

“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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