SCHEMBL5024002

SCHEMBL5024002

C=CCCCCCCCCCOCC1COC(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL11086721 0.83 ALDH1A1 (0.53) CA2ALDH1A1TDP1SMN1; SMN2
SCHEMBL17888162 0.83 ALDH1A1 (0.53) CA2ALDH1A1TDP1SMN1; SMN2
SCHEMBL15418187 0.83 ALDH1A1 (0.53) CA2ALDH1A1TDP1SMN1; SMN2
SCHEMBL9851924 0.83 ALDH1A1 (0.49) CA2ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL2219001 0.83 ALDH1A1 (0.53) CA2ALDH1A1TDP1SMN1; SMN2
SCHEMBL25077639 0.82 ALDH1A1 (0.62) CA2ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL2219135 0.82 ALDH1A1 (0.62) CA2ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL2216995 0.82 ALDH1A1 (0.62) CA2ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL8819217 0.82 ALDH1A1 (0.62) CA2ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL13996375 0.82 ALDH1A1 (0.62) CA2ALDH1A1TDP1TSHRSMN1; SMN2

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 4 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
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 CA2 3978/4885ALDH1A1 52/4885TDP1 1226/4885

“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.