SCHEMBL13403201

SCHEMBL13403201

Cc1oc(=O)c(C(=O)/C=C/C2CCCCC2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 5/20 0.39
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.30
PPARG P37231 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL15233104 0.89 PADI4 (0.37) PADI4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL13403211 0.86 PADI4 (0.37) PADI4
SCHEMBL12374646 0.79 PADI4 (0.44) PADI4ALDH1A1RAB9APPARGNPC1
SCHEMBL13403221 0.78 RAB9A (0.49) PADI4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL13403218 0.78 MEN1 (0.40) PADI4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL12374705 0.74 PADI4 (0.45) PADI4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL12374649 0.71 PADI4 (0.45) PADI4ALDH1A1MEN1KMT2ARAB9A
SCHEMBL24329076 0.70 PADI4 (0.44) PADI4ALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL12374651 0.70 PADI4 (0.65) PADI4ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL12374714 0.69 PADI4 (0.47) PADI4ALDH1A1MEN1KMT2ARAB9A

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
US-8524729-B2 Cinnamoyl derivatives and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-7691883-B2 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-06 US disclosed
US-20070265228-A1 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 US disclosed
US-20070123521-A1 Cinnamoyl derivatives and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-31 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-20070265228-A1 Cinnamoyl compound and use of the same NPC1, CES2, CYP51A1 PADI4 3465/4885ALDH1A1 83/4885MEN1 876/4885
US-20070123521-A1 Cinnamoyl derivatives and use thereof CES2, EBP, CPT1A PADI4 2457/4885ALDH1A1 31/4885MEN1 1813/4885

“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.