SCHEMBL1040413

SCHEMBL1040413

CCC(CC)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O.CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.50
NR1I2 O75469 1/20 0.44
GAA P10253 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 2/20 0.36
HIF1A Q16665 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 3/20 0.35
RECQL P46063 1/20 0.35
GMNN O75496 1/20 0.35

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
SCHEMBL3342217 0.88 HMGCR (0.46) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL39364 0.87 HMGCR (0.62) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL564169 0.86 HMGCR (0.61) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL28615117 0.86 HMGCR (0.61) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL5428580 0.86 HMGCR (0.61) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL562987 0.86 HMGCR (0.61) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL39365 0.84 LMNA (0.46) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL859105 0.82 HMGCR (0.59) HMGCRNR1I2GAAKMT2AMEN1
Tetrylammonium SCHEMBL276752 0.81 HMGCR (0.56) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL10992943 0.80 HMGCR (0.58) HMGCRNR1I2GAAKMT2AMEN1

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-20110263764-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS BASF SE (DE) 2011-10-27 US disclosed
US-20110214590-A1 STABILISERS FOR INANIMATE ORGANIC MATERIALS BASF SE (DE) 2011-09-08 US disclosed
US-20110028603-A1 HYPERBRANCHED POLYMERS AND OLIGOMERS COMPRISING TERMINAL AMINO GROUPS AS CURING AGENTS FOR EPOXY RESINS BASF SE (DE) 2011-02-03 US disclosed
WO-2011009876-A1 DERIVATIVES OF DIPHOSPHINES AS FLAME RETARDANTS IN AROMATIC AND/OR HETEROAROMATIC EPOXY RESINS BASF SE (DE) 2011-01-27 WO disclosed
US-7714044-B2 Use of 4-cyano-naphthalene-1, 8-dicarboximide derivatives and related compounds to protect organic material from the damaging effects of light BASF AKITENGESELLSCHAFT (DE) 2010-05-11 US disclosed
US-20070100033-A1 Use of 4-cyano-naphthalene-1, 8-dicarboximide derivatives and related compounds to protect organic material from the damaging effects of light BAST AKTIENGESELLSCHAFT (DE) 2007-05-03 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-20110214590-A1 STABILISERS FOR INANIMATE ORGANIC MATERIALS C1S, C1R, F12 HMGCR 1082/4885NR1I2 1894/4885GAA 3132/4885
US-20110263764-A1 CYCLIC PHOSPHINES AS FLAME RETARDANTS PFAS, PHOSPHO1, PLCG2 HMGCR 4329/4885NR1I2 2387/4885GAA 4529/4885

“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.