SCHEMBL5015576

SCHEMBL5015576

CC(=O)OCCCCCCCCCCCCOCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP1A2 P05177 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIK5 Q16478 1/20 0.44
KMT2A Q03164 4/20 0.42
CYP2C9 P11712 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK3 P27361 1/20 0.40
ASAH1 Q13510 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 3/20 0.38

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
SCHEMBL11099078 0.91 LMNA (0.51) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL14036739 0.85 LMNA (0.41) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL5017332 0.84 LMNA (0.49) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL11397970 0.84 SMN1; SMN2 (0.51) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL11399957 0.82 SMN1; SMN2 (0.52) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL14036914 0.82 CYP1A2 (0.40) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL10479183 0.81 LMNA (0.40) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL11300897 0.80 LMNA (0.54) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL14036796 0.79 SMN1; SMN2 (0.42) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL11252365 0.79 LMNA (0.56) LMNACYP1A2KDM4EGRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465876-B1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2008-11-05 EP disclosed
EP-1465876-B1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2008-11-05 EP disclosed
US-20040266747-A1 Long chain fatty alcohol substituents in antineoplastic agents PFAENDLER HANS R (DE) 2004-12-30 US disclosed
EP-1465876-A1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS Pfaendler, Hans Rudolf (DE) 2004-10-13 EP disclosed
WO-2003055864-A1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2003-07-10 WO 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-20040266747-A1 Long chain fatty alcohol substituents in antineoplastic agents FASN, ELOVL3, ELOVL1 LMNA 1910/4885CYP1A2 281/4885KDM4E 407/4885

“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.