SCHEMBL222722

SCHEMBL222722

CCCC1CCC(C(=O)Oc2ccc(OCCCCCCC(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)(C(=O)OC3CC(C)(C)N(C)C(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 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
ACACB O00763 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
S1PR5 Q9H228 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL222721 1.00 GAA (0.33) GAAPKMHTTATMACACB
SCHEMBL223143 0.95 ATM (0.36) GAAPKMHTTATM
SCHEMBL223144 0.95 ATM (0.36) GAAPKMHTTATM
SCHEMBL2795242 0.94
SCHEMBL223138 0.90 P2RY14 (0.32) ITGB3ITGA2B
SCHEMBL2741111 0.90 P2RY14 (0.32) ITGB3ITGA2B
SCHEMBL223021 0.88 CYP2C9 (0.33)
SCHEMBL223022 0.88 CYP2C9 (0.33)
SCHEMBL220433 0.86 CSF1R (0.33) GAAPKMHTTATM
SCHEMBL2741112 0.85 CSF1R (0.32) GAAPKMHTTATM

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 3 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
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 GAA 4815/4885PKM 1958/4885HTT 743/4885

“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.