SCHEMBL12015121

SCHEMBL12015121

CC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)C[C@H]1OC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.38
▸ DNMT1 P26358 5/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ RNASE1 P07998 1/20 0.36
▸ POLG P54098 1/20 0.35
▸ TK1 P04183 3/20 0.34
▸ DNMT3B Q9UBC3 1/20 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
SCHEMBL67563 1.00 ALB (0.38) ALBDNMT1ADRB1RNASE1POLG
SCHEMBL12087580 1.00 ALB (0.38) ALBDNMT1ADRB1RNASE1POLG
SCHEMBL24517423 0.90 RNASE1 (0.46) ALBDNMT1ADRB1RNASE1TK1
SCHEMBL18573362 0.90 DNMT1 (0.36) ALBDNMT1ADRB1RNASE1POLG
SCHEMBL68514 0.90 DNMT1 (0.36) ALBDNMT1ADRB1RNASE1POLG
SCHEMBL12590058 0.90 DNMT1 (0.36) ALBDNMT1ADRB1RNASE1POLG
SCHEMBL19884492 0.88 P2RY1 (0.42) POLGTK1
SCHEMBL22738250 0.87 ALB (0.39) ALBDNMT1ADRB1POLGDNMT3B
SCHEMBL12015130 0.86 POLG (0.41) DNMT1ADRB1POLGTK1DNMT3B
SCHEMBL12087573 0.86 POLG (0.41) DNMT1ADRB1POLGTK1DNMT3B

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 4 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
US-8987226-B2 Modified single-stranded polynucleotides DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-24 — — US disclosed
US-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 — — 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 (2 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 ALB 3509/4885DNMT1 1952/4885ADRB1 3667/4885
US-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE POLM, POLN, PNKP ALB 4626/4885DNMT1 151/4885ADRB1 4148/4885

“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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