SCHEMBL220612

SCHEMBL220612

CN1C(C)(C)CC(OC(=O)CCC(=O)Oc2ccc(C(=O)Oc3ccc(-c4ccc(OC(=O)CCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)cc3)cc2)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 3/20 0.34
NR1H4 Q96RI1 2/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
VCAM1 P19320 2/20 0.32
FSHR P23945 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL221765 0.95 KMT2A (0.35) MAPTKMT2AMEN1GAAMAOB
SCHEMBL994414 0.84 KMT2A (0.47) MAPTKMT2AMEN1GAAMAOB
SCHEMBL221190 0.81 MAPT (0.47) MAPTKMT2AMEN1GAANR1H4
SCHEMBL2741107 0.78 HRH3 (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL222324 0.77 NPC1 (0.33) MAPTNR1H4LMNASMN1; SMN2RARB
SCHEMBL562628 0.76 KMT2A (0.47) MAPTKMT2AMEN1GAAMAOB
SCHEMBL10903842 0.76 MAOB (0.43) KMT2AMEN1GAAMAOBMAOA
SCHEMBL11449728 0.76 KMT2A (0.45) MAPTKMT2AMEN1GAAMAOB
SCHEMBL223804 0.75 GAA (0.49) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL431493 0.75 GAA (0.56) MAPTKMT2AMEN1GAAALDH1A1

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 MAPT 1853/4885KMT2A 375/4885MEN1 17/4885

“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.