SCHEMBL2214159

SCHEMBL2214159

COc1ccc(C(OC(C(C)=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OCOCC(C(F)(F)F)C(F)(F)F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.42
▸ TRDMT1 O14717 1/20 0.42
▸ TYMP P19971 1/20 0.42
▸ CARM1 Q86X55 2/20 0.41
▸ NNMT P40261 1/20 0.40
▸ AHCY P23526 3/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ NT5E P21589 1/20 0.39

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
SCHEMBL15048493 1.00 ADORA1 (0.42) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL2106220 0.88 ADORA1 (0.42) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL15841413 0.87 ADORA1 (0.41) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL2107506 0.86 ADORA1 (0.53) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL2213753 0.84 CARM1 (0.34) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL15048538 0.84 CARM1 (0.34) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL2216432 0.83 ST6GAL1 (0.36) TYMPNT5E
SCHEMBL6835045 0.82 ADORA1 (0.45) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL10690523 0.81 ADORA3 (0.50) ADORA1TRDMT1TYMPCARM1NNMT
SCHEMBL17599879 0.81 ADORA3 (0.48) ADORA1TRDMT1TYMPCARM1NNMT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178284-A1 Novel protective group for synthesis of RNA and derivative CHIRALGEN, LTD. (JP) 2011-07-21 — — 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-20110178284-A1 Novel protective group for synthesis of RNA and derivative RNGTT, FBL, RNASEH1 ADORA1 2387/4885TRDMT1 164/4885TYMP 3514/4885

“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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