SCHEMBL6318685

SCHEMBL6318685

COc1cc(C2(P3(=O)O[C@@H](C)[C@@H](C)O3)CCCCC2Nc2ccc(C)nc2C)ccc1O

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
ALDH1A1 P00352 3/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTPN7 P35236 2/20 0.31
DUSP3 P51452 2/20 0.31
HRH2 P25021 1/20 0.30
TRPC5 Q9UL62 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL6319727 0.88 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL6319604 0.77 HRH2 (0.31) HRH2TRPC5
SCHEMBL6318625 0.73 TP53 (0.37) GAAALDH1A1USP2KMT2ASMN1; SMN2
SCHEMBL6317757 0.60 ACHE (0.31) LMNA
SCHEMBL6319681 0.59 SLC22A3 (0.39) GAAALDH1A1KMT2ALMNA
SCHEMBL6322972 0.59 SLC22A3 (0.37) GAAALDH1A1KMT2ALMNA
SCHEMBL6320578 0.58 MAPT (0.38) GAAALDH1A1USP2KMT2ASMN1; SMN2
SCHEMBL6320571 0.58 MAPT (0.38) GAAALDH1A1USP2KMT2ASMN1; SMN2
SCHEMBL21882883 0.58 LMNA (0.57) GAAALDH1A1USP2KMT2AMAPK1
SCHEMBL23787921 0.57 LMNA (0.48) ALDH1A1DUSP3MAPK1LMNAHPGD

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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US disclosed
US-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL GAA 1102/4885ALDH1A1 4526/4885USP2 4179/4885

“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.