SCHEMBL1708828

SCHEMBL1708828

Cc1ccc(OC(=O)N2CCN(c3ccc(C(=O)OC4COC5C(OC(=O)c6ccc(N7CCN(C(=O)Oc8ccc(C)cc8)CC7)cc6)COC45)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 1/20 0.44
BCHE P06276 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14399357 0.82 BCHE (0.53) KMT2AMEN1LMNABCHEGAA
SCHEMBL14399622 0.82 BCHE (0.53) KMT2AMEN1LMNABCHEGAA
SCHEMBL14370347 0.82 BCHE (0.53) KMT2AMEN1LMNABCHEGAA
SCHEMBL14370351 0.82 BCHE (0.53) KMT2AMEN1LMNABCHEGAA
SCHEMBL14484570 0.80 LMNA (0.53) KMT2AMEN1LMNABCHE
SCHEMBL14414613 0.80 LMNA (0.53) KMT2AMEN1LMNABCHE
SCHEMBL12902911 0.80 LMNA (0.53) KMT2AMEN1LMNABCHE
SCHEMBL14399512 0.80 LMNA (0.53) KMT2AMEN1LMNABCHE
SCHEMBL14497082 0.80 LMNA (0.53) KMT2AMEN1LMNABCHE
SCHEMBL1708821 0.80 BCHE (0.51) KMT2AMEN1MAPTALDH1A1LMNA

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-8287969-B2 Isosorbide derivatives and liquid crystal displays comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-10-16 US disclosed
US-8287969-B2 Isosorbide derivatives and liquid crystal displays comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-10-16 US disclosed
US-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-04-12 US disclosed
US-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-04-12 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-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME CX3CR1, CBX3, YBX3 CYP2C19 2190/4885CYP1A2 1378/4885CYP2C9 1186/4885

“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.