SCHEMBL280477

SCHEMBL280477

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
SLC18A3 Q16572 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
STS P08842 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
SCHEMBL12898142 0.79 POLB (0.55) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL23871462 0.72 HDAC4 (0.42) SERPINE1ALDH1A1KMT2AMEN1NPC1
SCHEMBL9579156 0.71 ALDH1A1 (0.52) SERPINE1ALDH1A1KMT2ATRPM8HPGD
SCHEMBL16761051 0.71 ATM (0.49) SERPINE1ALDH1A1KMT2AMEN1HPGD
SCHEMBL18598316 0.71 MAPT (0.53) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL22382749 0.71 SERPINE1 (0.51) SERPINE1ALDH1A1KMT2AMEN1SLC18A3
SCHEMBL13034074 0.69 CHRM2 (0.42) ALDH1A1KMT2AMEN1SLC18A3CHRM2
SCHEMBL9493633 0.69 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1TRPM8HPGD
SCHEMBL8359664 0.68 ALDH1A1 (0.48) SERPINE1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL10599769 0.68 EPHX1 (0.44) ALDH1A1KMT2AMEN1HPGD

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-8067440-B2 Phosphonium salts derivatives and uses thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2011-11-29 US disclosed
US-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (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-20110092683-A1 PHOSPHONIUM SALTS DERIVATIVES AND USES THEREOF PI4K2A, PIP4K2A, PI4K2B SERPINE1 2687/4885ALDH1A1 3468/4885KMT2A 1748/4885

“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.