SCHEMBL223771

SCHEMBL223771

CCCCC[C@H]1CC[C@H](c2ccc(C(=O)OCCCCCCC(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)(C(=O)OC3CC(C)(C)NC(C)(C)C3)C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 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
SCHEMBL223772 1.00 NPC1 (0.31) NPC1MAPTRAB9AALDH1A1BCHE
SCHEMBL222571 0.95 ALDH1A1 (0.32) NPC1MAPTRAB9AALDH1A1BCHE
SCHEMBL222572 0.95 ALDH1A1 (0.32) NPC1MAPTRAB9AALDH1A1BCHE
SCHEMBL2765970 0.93 NPC1 (0.30) NPC1MAPTRAB9AALDH1A1
SCHEMBL2763542 0.90
SCHEMBL221522 0.86 P2RY14 (0.34) RAB9A
SCHEMBL221521 0.86 P2RY14 (0.34) RAB9A
SCHEMBL223022 0.85 CYP2C9 (0.33) NPC1MAPTALDH1A1
SCHEMBL223021 0.85 CYP2C9 (0.33) NPC1MAPTALDH1A1
SCHEMBL2741111 0.82 P2RY14 (0.32)

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 NPC1 3019/4885MAPT 1211/4885RAB9A 2145/4885

“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.