SCHEMBL3464768

SCHEMBL3464768

COC(=O)/C=C/CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA9 Q16790 6/20 0.47
DRD2 P14416 3/20 0.39
EPHX1 P07099 2/20 0.38

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
SCHEMBL8411414 0.98 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL7435598 0.98 TDP1 (0.58) TDP1MAOAMAOBMEN1GAA
SCHEMBL28922732 0.95 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL16498642 0.89 TDP1 (0.47) TDP1MAOAMAOBMEN1GAA
SCHEMBL16498645 0.89 TDP1 (0.47) TDP1MAOAMAOBMEN1GAA
SCHEMBL13504656 0.88 TDP1 (0.54) TDP1MAOAMAOBMEN1GAA
SCHEMBL3462867 0.86 TDP1 (0.57) TDP1MAOAMAOBMEN1GAA
SCHEMBL3462865 0.86 TDP1 (0.57) TDP1MAOAMAOBMEN1GAA
SCHEMBL7438984 0.85 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL8411840 0.85 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA

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-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP claimed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP claimed
WO-2023059581-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 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-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FFAR3, FFAR2, BCAT1 TDP1 3910/4885MAOA 1937/4885MAOB 2073/4885

“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.