SCHEMBL2006820

SCHEMBL2006820

C=C(OCC)OC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 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
SCHEMBL1055708 0.83 ALDH1A1 (0.61) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL28932605 0.83 ALDH1A1 (0.57) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL29265486 0.83 ALDH1A1 (0.53) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2971851 0.82 LMNA (0.58) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL11769775 0.81 SMN1; SMN2 (0.66) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL9666128 0.81 LMNA (0.56) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6378577 0.81 LMNA (0.56) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL17479491 0.81 LMNA (0.52) LMNAALDH1A1MAPTSMN1; SMN2NPC1
Ethyl Benzoate SCHEMBL9248394 0.81 LMNA (0.66) LMNAALDH1A1MAPTSMN1; SMN2NPC1
Ethyl Benzoate SCHEMBL25388294 0.81 LMNA (0.70) LMNAALDH1A1MAPTSMN1; SMN2NPC1

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-7964637-B2 Process for producing optically active theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-06-21 US disclosed
US-20090270516-A1 Process for Producing Optically Active Theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-29 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-20090270516-A1 Process for Producing Optically Active Theaspirane DHPS, ALDH7A1, FASN LMNA 2255/4885ALDH1A1 38/4885MAPT 1525/4885

“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.