SCHEMBL1151086

SCHEMBL1151086

O=CCCCCCCCCOC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.76
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6821599 1.00 TDP1 (0.76) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL9329294 0.98 TDP1 (0.79) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL25305081 0.95 TDP1 (0.69) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL7297778 0.93 TDP1 (0.75) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896606 0.89 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL2069111 0.89 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL223238 0.89 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL17466182 0.89 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL225815 0.89 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896235 0.89 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A

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-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2011-02-03 US disclosed
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 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-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS PCCA, CBR3, CBR1 TDP1 4504/4885LMNA 493/4885ALDH1A1 367/4885

“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.