SCHEMBL18057138

SCHEMBL18057138

CC(C)(C)C[C@@]12CO[C@@H](C1OC(C)(C)C)[C@H](n1ccc(=O)[nH]c1=O)O2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 5/20 0.38
▸ DUT P33316 2/20 0.37
▸ P2RY14 Q15391 2/20 0.36
▸ SLC28A1 O00337 1/20 0.35
▸ SLC28A2 O43868 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ SLC28A3 Q9HAS3 1/20 0.35
▸ P2RY2 P41231 7/20 0.34
▸ P2RY4 P51582 2/20 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
SCHEMBL18057128 0.85 P2RY14 (0.47) P2RY6P2RY14P2RY2P2RY4
SCHEMBL18057137 0.84 P2RY14 (0.42) P2RY6P2RY14P2RY2P2RY4
SCHEMBL22060534 0.83 ALDH1A1 (0.38) —
SCHEMBL15280854 0.83 ALDH1A1 (0.38) —
SCHEMBL19887045 0.83 ALDH1A1 (0.38) —
SCHEMBL18058970 0.79 P2RY6 (0.41) P2RY6P2RY14SLC28A1SLC28A2SLC29A1
SCHEMBL14702142 0.79 P2RY6 (0.41) P2RY6P2RY14SLC28A1SLC28A2SLC29A1
SCHEMBL12408858 0.79 DUT (0.43) P2RY6DUTP2RY14SLC28A1SLC28A2
SCHEMBL12191314 0.79 DUT (0.43) P2RY6DUTP2RY14SLC28A1SLC28A2
SCHEMBL12408866 0.79 DUT (0.43) P2RY6DUTP2RY14SLC28A1SLC28A2

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-9803199-B2 Cationic lipid DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-31 — — US disclosed
US-20160257951-A1 NOVEL LIPID DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-08 — — 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-20160257951-A1 NOVEL LIPID NPC1L1, CETP, LIPC P2RY6 1969/4885DUT 1248/4885P2RY14 2125/4885

“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.

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