SCHEMBL5017332

SCHEMBL5017332

O=c1[nH]c(=O)n(COCCCCCCCCCCCCO)cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KMT2A Q03164 1/20 0.49
UPP1 Q16831 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIK5 Q16478 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK3 P27361 1/20 0.38
ASAH1 Q13510 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL3786418 0.88 UPP1 (0.57) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL11399957 0.84 SMN1; SMN2 (0.52) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL5015576 0.84 LMNA (0.48) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL14036796 0.83 SMN1; SMN2 (0.42) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL10479183 0.82 LMNA (0.40) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL27517281 0.80 UPP1 (0.55) UPP1
SCHEMBL13650209 0.79 LMNA (0.50) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL14036914 0.79 CYP1A2 (0.40) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL10479219 0.79 LMNA (0.42) LMNAKMT2AUPP1KDM4ECYP1A2
SCHEMBL11099078 0.76 LMNA (0.51) LMNAKMT2AUPP1KDM4ECYP1A2

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 1910/4885KMT2A 695/4885UPP1 2101/4885

“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.