SCHEMBL12898142

SCHEMBL12898142

CC(C)[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCHE P06276 1/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL6234232 0.85 POLB (0.55) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL6234235 0.85 POLB (0.55) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL30397957 0.84 CHRM2 (0.51) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL27973717 0.84 POLB (0.55) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL260048 0.84 POLB (0.55) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL8667174 0.84 POLB (0.55) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL6235428 0.84 CHRM2 (0.58) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL6235437 0.84 CHRM2 (0.58) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL8113981 0.80 CHRM2 (0.57) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL280477 0.79 SERPINE1 (0.42) POLBCHRM2CHRM4CHRM1CHRM3

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-7880037-B2 Phosphonium supported triphenylphosphine; for controlling solubility of a molecule; oxidation of Cinnamyl Alcohol using above catalyst system VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-02-01 US disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 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-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B POLB 1291/4885CHRM2 2281/4885CHRM4 2886/4885

“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.