SCHEMBL223193

SCHEMBL223193

CN1C(C)(C)CC(OC(=O)C(CCCCCCOc2ccc(OCc3ccccc3)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 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
KDM4E B2RXH2 7/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
NPY1R P25929 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
EZH2 Q15910 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL220433 0.93 CSF1R (0.33) SLC2A1ALDH1A1HTTNPSR1KMT2A
SCHEMBL2741112 0.90 CSF1R (0.32) ALDH1A1HTTNPSR1L3MBTL1KMT2A
SCHEMBL223144 0.87 ATM (0.36) ALDH1A1HTTKMT2AMEN1
SCHEMBL223143 0.87 ATM (0.36) ALDH1A1HTTKMT2AMEN1
SCHEMBL222324 0.85 NPC1 (0.33) NPC1LMNASMN1; SMN2
SCHEMBL222202 0.85 NPC1 (0.33) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL13599616 0.84 MAOB (0.39) KDM4EALDH1A1HTTNPSR1LMNA
SCHEMBL2789383 0.83 CSF1R (0.30)
SCHEMBL28578189 0.83 KMT2A (0.36) KDM4EALDH1A1HTTNPSR1LMNA
SCHEMBL222304 0.83 ALDH1A1 (0.36) KDM4EALDH1A1HTTNPSR1LMNA

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 SLC2A1 4003/4885KDM4E 376/4885NPC1 3019/4885

“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.