SCHEMBL223138

SCHEMBL223138

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(=O)[C@H]4CC[C@H](C(=O)Oc5ccc(OCCCCCCC(Cc6cc(C(C)(C)C)c(O)c(C(C)(C)C)c6)(C(=O)OC6CC(C)(C)N(C)C(C)(C)C6)C(=O)OC6CC(C)(C)N(C)C(C)(C)C6)cc5)CC4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.32
S1PR3 Q99500 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL2741111 1.00 P2RY14 (0.32) P2RY14S1PR3ITGB3ITGA2B
SCHEMBL221521 0.95 P2RY14 (0.34) P2RY14S1PR3ITGB3ITGA2B
SCHEMBL221522 0.95 P2RY14 (0.34) P2RY14S1PR3ITGB3ITGA2B
SCHEMBL10138738 0.92 P2RY14 (0.30) P2RY14
SCHEMBL222722 0.90 GAA (0.33) ITGB3ITGA2B
SCHEMBL222721 0.90 GAA (0.33) ITGB3ITGA2B
SCHEMBL2763414 0.89 P2RY14 (0.31) P2RY14S1PR3ITGB3ITGA2B
SCHEMBL223143 0.88 ATM (0.36)
SCHEMBL223144 0.88 ATM (0.36)
SCHEMBL223022 0.87 CYP2C9 (0.33) S1PR3

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 P2RY14 2316/4885S1PR3 2409/4885ITGB3 3012/4885

“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.