SCHEMBL223143

SCHEMBL223143

CN1C(C)(C)CC(OC(=O)C(CCCCCCOc2ccc(OC(=O)[C@H]3CC[C@H](C(=O)Oc4ccc(OCCCCCCC(Cc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)(C(=O)OC5CC(C)(C)N(C)C(C)(C)C5)C(=O)OC5CC(C)(C)N(C)C(C)(C)C5)cc4)CC3)cc2)(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CSF1R P07333 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT3 P36888 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL223144 1.00 ATM (0.36) ATMGAAPKMHTTMEN1
SCHEMBL222721 0.95 GAA (0.33) ATMGAAPKMHTT
SCHEMBL222722 0.95 GAA (0.33) ATMGAAPKMHTT
SCHEMBL220433 0.90 CSF1R (0.33) ATMGAAPKMHTTMEN1
SCHEMBL2741112 0.90 CSF1R (0.32) ATMGAAPKMHTTMEN1
SCHEMBL2795242 0.89
SCHEMBL223138 0.88 P2RY14 (0.32)
SCHEMBL2741111 0.88 P2RY14 (0.32)
SCHEMBL222324 0.88 NPC1 (0.33)
SCHEMBL222202 0.87 NPC1 (0.33) GAAMEN1KMT2A

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-8431039-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-04-30 US disclosed
US-20120002141-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-20120002141-A1 MESOGENIC STABILIZERS BMI1, METTL14, PYM1 ATM 3987/4885GAA 4815/4885PKM 1958/4885

“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.