SCHEMBL5155232

SCHEMBL5155232

N#CCC/C=C/CC/C=C/CCC#N

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP3A4 P08684 1/20 0.37
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
SCHEMBL5155235 1.00 ALDH1A1 (0.53) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL8323691 0.96 ALDH1A1 (0.56) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL8323693 0.96 ALDH1A1 (0.56) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL17511075 0.86 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL17532630 0.86 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL5912348 0.86 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL17511103 0.86 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL21433096 0.86 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL21433095 0.86 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL5912343 0.86 ALDH1A1 (0.42) ALDH1A1TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323707-B1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION UBE INDUSTRIES (JP) 2007-01-24 EP claimed
US-6689895-B2 4, 8-dodecadienedinitrile and process for its production UBE INDUSTRIES, LTD. (JP) 2004-02-10 US claimed
US-20030181751-A1 4, 8-dodecadienedinitrile and process for its production UBE INDUSTRIES (JP) 2003-09-25 US claimed
EP-1323707-A1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION Ube Industries, Ltd. (JP) 2003-07-02 EP claimed
US-4133726-A Electrolytic flow-cell apparatus and process for effecting sequential electrochemical reaction MONSANTO COMPANY (US) 1979-01-09 US claimed
EP-1323707-B1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION UBE INDUSTRIES (JP) 2007-01-24 EP disclosed
EP-1323707-B1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION UBE INDUSTRIES (JP) 2007-01-24 EP disclosed
EP-1323707-B1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION UBE INDUSTRIES (JP) 2007-01-24 EP disclosed
EP-1323707-A4 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION UBE INDUSTRIES (JP) 2005-08-17 EP disclosed
US-6689895-B2 4, 8-dodecadienedinitrile and process for its production UBE INDUSTRIES, LTD. (JP) 2004-02-10 US disclosed
US-6689895-B2 4, 8-dodecadienedinitrile and process for its production UBE INDUSTRIES, LTD. (JP) 2004-02-10 US disclosed
US-6689895-B2 4, 8-dodecadienedinitrile and process for its production UBE INDUSTRIES, LTD. (JP) 2004-02-10 US disclosed
US-20030181751-A1 4, 8-dodecadienedinitrile and process for its production UBE INDUSTRIES (JP) 2003-09-25 US disclosed
US-20030181751-A1 4, 8-dodecadienedinitrile and process for its production UBE INDUSTRIES (JP) 2003-09-25 US disclosed
EP-1323707-A1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION Ube Industries, Ltd. (JP) 2003-07-02 EP disclosed
EP-1323707-A1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION Ube Industries, Ltd. (JP) 2003-07-02 EP disclosed
JP-2002088045-A 4,8-DODECADIENEDINITRILE UBE IND LTD 2002-03-27 JP disclosed
WO-2002022560-A1 4,8-DODECADIENEDINITRILE AND PROCESS FOR ITS PRODUCTION UBE INDUSTRIES, LTD. (JP) 2002-03-21 WO disclosed
US-4133726-A Electrolytic flow-cell apparatus and process for effecting sequential electrochemical reaction MONSANTO COMPANY (US) 1979-01-09 US disclosed
US-4071429-A Electrolytic flow-cell apparatus and process for effecting sequential electrochemical reaction MONSANTO COMPANY (US) 1978-01-31 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 (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-20030181751-A1 4, 8-dodecadienedinitrile and process for its production HSD17B7, CYP8B1, HSD11B1 ALDH1A1 488/4885TDP1 2394/4885TSHR 2071/4885

“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.