SCHEMBL13610655

SCHEMBL13610655

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(/C=C/C(=O)NCCNC(=O)[C@@H](C)c4ccc5cc(OC)ccc5c4)c(=O)[nH]c3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.30
CA12 O43570 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL12259020 1.00 CA4 (0.30) CA4CA12DRD2DRD3OPRM1
SCHEMBL12259024 0.93
SCHEMBL13610670 0.93
SCHEMBL28636366 0.88 TYMS (0.30)
SCHEMBL29414478 0.88 TYMS (0.30)
SCHEMBL13403288 0.88 TYMS (0.30)
SCHEMBL18133272 0.87 TYMP (0.33)
SCHEMBL13032480 0.83 DRD2 (0.33) CA4CA12DRD2DRD3OPRM1
SCHEMBL13610662 0.83 DRD2 (0.33) CA4CA12DRD2DRD3OPRM1
SCHEMBL22984007 0.81 RNASE1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404862-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 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 (3 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-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA CA4 2471/4885CA12 2425/4885DRD2 4661/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA CA4 2471/4885CA12 2425/4885DRD2 4661/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG CA4 3754/4885CA12 2689/4885DRD2 3809/4885

“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.