SCHEMBL13866366

SCHEMBL13866366

CCCCC(=CCC=O)CCCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.40
CES2 O00748 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.36
TRPV1 Q8NER1 2/20 0.34
FAAH O00519 2/20 0.33
TRPA1 O75762 2/20 0.33
PTGS2 P35354 1/20 0.32
HSD17B3 P37058 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL1781481 0.79 CES1 (0.39) CES1CES2TSHRALDH1A1TP53
SCHEMBL1781480 0.79 CES1 (0.39) CES1CES2TSHRALDH1A1TP53
SCHEMBL27400782 0.77 CES1 (0.37) CES1CES2TSHRALDH1A1TP53
SCHEMBL31520438 0.74 CES1 (0.41) CES1CES2TSHRALDH1A1TP53
SCHEMBL13742862 0.74
SCHEMBL1783776 0.73 CES2 (0.41) CES1CES2TSHRALDH1A1TRPA1
SCHEMBL1783778 0.73 CES2 (0.41) CES1CES2TSHRALDH1A1TRPA1
SCHEMBL432401 0.73 AKR1B1 (0.44) CES1CES2TSHRALDH1A1AKR1B1
SCHEMBL25131896 0.73 TSHR (0.61) TSHRTP53TRPV1FAAHMAPT
SCHEMBL31130683 0.72 CES1 (0.39) CES1CES2TSHRALDH1A1TP53

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-8404872-B2 Production of 2,5-dihydrofurans and analogous compounds CORNELL UNIVERSITY (US) 2013-03-26 US disclosed
US-20090131691-A1 Production of 2,5-Dihydrofurans and Analogous Compounds CORNELL RESEARCH FOUNDATION INC. (US) 2009-05-21 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-20090131691-A1 Production of 2,5-Dihydrofurans and Analogous Compounds DHPS, DHFR, DHODH CES1 766/4885CES2 882/4885TSHR 2635/4885

“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.