SCHEMBL12702749

SCHEMBL12702749

CCC1OC(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@]1(C)CC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ABCB1 P08183 5/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LGALS9 O00182 1/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ BCHE P06276 2/20 0.34
▸ SLC43A1 O75387 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
SCHEMBL12702706 1.00 GAA (0.40) GAAALDH1A1ABCB1LMNATSHR
SCHEMBL12702751 1.00 GAA (0.40) GAAALDH1A1ABCB1LMNATSHR
SCHEMBL12702761 0.86 GAA (0.39) GAAALDH1A1ABCB1LMNATSHR
SCHEMBL12702722 0.86 GAA (0.39) GAAALDH1A1ABCB1LMNATSHR
SCHEMBL6972631 0.81 ABCB1 (0.41) GAAABCB1TSHRKMT2ASLC43A1
SCHEMBL6975398 0.81 ABCB1 (0.41) GAAABCB1TSHRKMT2ASLC43A1
SCHEMBL16131582 0.79 ALDH1A1 (0.46) GAAALDH1A1ABCB1LMNAPTGES2
SCHEMBL12724709 0.79 ALDH1A1 (0.46) GAAALDH1A1ABCB1LMNAPTGES2
SCHEMBL12724710 0.79 ALDH1A1 (0.46) GAAALDH1A1ABCB1LMNAPTGES2
SCHEMBL1592238 0.79 ALDH1A1 (0.46) GAAALDH1A1ABCB1LMNAPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846636-B2 Nucleoside analogues with quaternary carbon stereogenic centers and methods of use LCB PHARMA INC. (CA) 2014-09-30 — — US disclosed
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 — — 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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR GAA 1122/4885ALDH1A1 2724/4885ABCB1 501/4885

“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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