SCHEMBL3173129

SCHEMBL3173129

CCC#C/C=C/CCCCCCCCCO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.45
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EPAS1 Q99814 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL11271633 1.00 HMGCR (0.45) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL29281359 1.00 HMGCR (0.45) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL11271629 1.00 HMGCR (0.45) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL11691059 1.00 HMGCR (0.45) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL11691044 1.00 HMGCR (0.45) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL3173138 1.00 HMGCR (0.45) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL11692944 0.92 HMGCR (0.40) HMGCRALDH1A1PPARG
SCHEMBL11692939 0.92 HMGCR (0.40) HMGCRALDH1A1PPARG
SCHEMBL13692792 0.85 HMGCR (0.54) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL11260732 0.83 HMGCR (0.40) HMGCREPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655253-B2 A synthetic pheromone composition comprising 11,13 hexadecadienal and 3,6,9,12,15 tricosapentaene; further comprising 3,6,9,12,15 pentacosapentaene,11,13 hexadecadien-1-ol, ethyl 11,13 hexadecadienoate, 13 hexadecenal, ethylpalmitate 11,13 hexadecadienyl acetate and hexadecyl acetate; insect pest trap BEDOUKIAN RESEARCH, INC. (US) 2010-02-02 US disclosed
US-20060280765-A1 Navel orangeworm pheromone composition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-14 US disclosed
US-20060110420-A1 Synthetic pheromone compositions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-05-25 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 (2 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-20060280765-A1 Navel orangeworm pheromone composition API5, PRUNE1, OR10J3 HMGCR 1796/4885LMNA 2922/4885ALDH1A1 4411/4885
US-20060110420-A1 Synthetic pheromone compositions API5, VIP, ERG28 HMGCR 1560/4885LMNA 3868/4885ALDH1A1 4775/4885

“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.