SCHEMBL12458445

SCHEMBL12458445

CC(C)[Si]1(C(C)C)C[Si](C(C)C)(C(C)C)OC2[C@@H](CO1)O[C@@H](n1ccc(=O)[nH]c1=O)[C@H]2OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 2/20 0.37
▸ P2RY6 Q15077 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ P2RY4 P51582 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTR2A P28223 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
SCHEMBL9964310 0.88 P2RY2 (0.37) P2RY2P2RY6P2RY14P2RY4TDP1
SCHEMBL12458446 0.81 TDP1 (0.36) P2RY2P2RY6P2RY14TDP1
SCHEMBL16594078 0.73 TDP1 (0.42) P2RY2P2RY6TDP1
SCHEMBL706579 0.71 TDP1 (0.41) P2RY2P2RY6P2RY14TDP1
SCHEMBL16863925 0.69 TDP1 (0.34) P2RY2P2RY6P2RY14TDP1
SCHEMBL9964294 0.69 TDP1 (0.36) P2RY2P2RY6P2RY14TDP1
SCHEMBL16604912 0.68 SLC28A1 (0.33) P2RY2P2RY6P2RY4
SCHEMBL9893207 0.67 SLC28A1 (0.34) P2RY2P2RY6P2RY14P2RY4TDP1
SCHEMBL1318516 0.65 TDP1 (0.41) P2RY2P2RY6P2RY14TDP1
SCHEMBL1317537 0.65 TDP1 (0.36) P2RY2P2RY6P2RY14TDP1

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-9067961-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2015-06-30 — — US disclosed
US-9067961-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2015-06-30 — — US disclosed
US-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-09-20 — — 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-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 P2RY2 2665/4885P2RY6 2787/4885P2RY14 3344/4885

“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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