SCHEMBL221765

SCHEMBL221765

CN1C(C)(C)CC(OC(=O)CCC(=O)Oc2cc(OC(=O)CCC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)cc(C(=O)Oc3ccc(-c4ccc(OC(=O)CCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)cc3)c2)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 4/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VCAM1 P19320 2/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL220612 0.95 MAPT (0.38) KMT2AMEN1GAAMAPTMAOB
SCHEMBL994414 0.83 KMT2A (0.47) KMT2AMEN1GAAMAPTMAOB
SCHEMBL221190 0.76 MAPT (0.47) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL562628 0.75 KMT2A (0.47) KMT2AMEN1GAAMAPTMAOB
SCHEMBL10903842 0.75 MAOB (0.43) KMT2AMEN1GAAMAOBMAOA
SCHEMBL11449728 0.74 KMT2A (0.45) KMT2AMEN1GAAMAPTMAOB
SCHEMBL223804 0.74 GAA (0.49) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL431493 0.74 GAA (0.56) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL8880154 0.73 KMT2A (0.46) KMT2AMEN1GAAMAOBMAOA
SCHEMBL2741107 0.73 HRH3 (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013022605-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-8349210-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-01-08 US disclosed
US-8349210-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-01-08 US disclosed
US-8349210-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-01-08 US disclosed
US-20120003401-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 US disclosed
US-20120003401-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 US disclosed
US-20120003401-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 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-20120003401-A1 MESOGENIC STABILIZERS PYM1, BMI1, C1S KMT2A 375/4885MEN1 17/4885GAA 4810/4885

“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.