SCHEMBL18877604

SCHEMBL18877604

COc1ccc(N(c2ccc(N3C(=O)C4CCCCC4C3=O)cc2)c2ccc(N(c3ccc(OC)cc3)c3ccc(N4C(=O)C5CCCCC5C4=O)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MAPT P10636 5/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MGLL Q99685 1/20 0.45
HTT P42858 1/20 0.45
ACHE P22303 1/20 0.44
HPGD P15428 2/20 0.44
ELANE P08246 1/20 0.43

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
SCHEMBL18875024 1.00 GAA (0.50) GAAMAPTPOLBKMT2AL3MBTL1
SCHEMBL11537780 0.91 GAA (0.57) GAAMAPTPOLBKMT2AL3MBTL1
SCHEMBL18875025 0.90 KMT2A (0.48) GAAMAPTPOLBKMT2AL3MBTL1
SCHEMBL18877712 0.86 KMT2A (0.40) GAAMAPTPOLBKMT2AL3MBTL1
SCHEMBL15746104 0.79 MEN1 (0.46) GAAMAPTPOLBKMT2AALDH1A1
SCHEMBL1218751 0.75 POLB (0.60) GAAMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL10903734 0.74 TSHR (0.62) GAAMAPTPOLBKMT2AL3MBTL1
SCHEMBL13560875 0.73 GAA (0.65) GAAMAPTPOLBKMT2AALDH1A1
SCHEMBL13265283 0.73 LMNA (0.59) GAAMAPTPOLBKMT2AALDH1A1
SCHEMBL13624487 0.73 POLB (0.53) GAAMAPTPOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10007164-B2 Organic compounds, light modulating composition and light modulating devices employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-26 US disclosed
US-20170146881-A1 ORGANIC COMPOUNDS, LIGHT MODULATING COMPOSITION AND LIGHT MODULATING DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-05-25 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 (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-10007164-B2 Organic compounds, light modulating composition and light modulating devices employing the same CRY1, XDH, CHRM1 GAA 3660/4885MAPT 320/4885POLB 3602/4885
US-20170146881-A1 ORGANIC COMPOUNDS, LIGHT MODULATING COMPOSITION AND LIGHT MODULATING DEVICES EMPLOYING THE SAME CRY1, XDH, CHRM1 GAA 3660/4885MAPT 320/4885POLB 3602/4885

“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.