SCHEMBL767896

SCHEMBL767896

CC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O[C@H](C)[C@@H](C)OC)C1O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.52
TYMP P19971 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
POLB P06746 1/20 0.42
ADRA1A P35348 1/20 0.42
BLM P54132 1/20 0.42
TK1 P04183 2/20 0.42

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
SCHEMBL9908676 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL9908679 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL9908669 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL767989 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL9908671 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL767852 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL767975 1.00 TK2 (0.52) TK2TYMPALDH1A1LMNAALB
SCHEMBL774127 0.92 TK2 (0.59) TK2TYMPALDH1A1LMNAALB
SCHEMBL773378 0.92 TK2 (0.59) TK2TYMPALDH1A1LMNAALB
SCHEMBL767907 0.92 TK2 (0.59) TK2TYMPALDH1A1LMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107511-A1 OLIGONUCLEOTIDE END CAPS BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-20160348110-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS INC (US) 2016-12-01 US disclosed
US-9453043-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-07-30 US disclosed
US-8975389-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2015-03-10 US disclosed
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-22 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-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 TK2 190/4885TYMP 156/4885ALDH1A1 1390/4885
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 TK2 219/4885TYMP 183/4885ALDH1A1 1352/4885

“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.