SCHEMBL9355012

SCHEMBL9355012

CC(=O)CCCCCCC#N

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.50
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.39
PTPN7 P35236 3/20 0.38
HMGCR P04035 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35

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
SCHEMBL17260760 1.00 PAOX (0.50) PAOXALDH1A1TSHRACHEPTPN7
SCHEMBL10370310 1.00 PAOX (0.50) PAOXALDH1A1TSHRACHEPTPN7
SCHEMBL7779358 0.98
SCHEMBL9551989 0.92 TSHR (0.50) ALDH1A1TSHRPTPN7HMGCRHSD17B10
SCHEMBL329262 0.90
Ethylene SCHEMBL8561240 0.86 ALDH1A1 (0.41) PAOXALDH1A1TSHRACHELMNA
Water SCHEMBL17727821 0.79
SCHEMBL304991 0.79
SCHEMBL16723870 0.79 PAOX (0.72) PAOXALDH1A1TSHRACHEHSD17B10
SCHEMBL3626142 0.79 PAOX (0.72) PAOXALDH1A1TSHRACHEHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402063-B1 Alpha-(omega-cyanoalkanoyl)-gamma-butyrolactone and method for producing the same UBE INDUSTRIES (JP) 1994-09-21 EP claimed
US-20210246106-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2021-08-12 US disclosed
US-10995070-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2021-05-04 US disclosed
US-20190135757-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2019-05-09 US disclosed
US-10207995-B2 Acetyl CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2019-02-19 US disclosed
US-20160145212-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-26 US disclosed
WO-2014201327-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2014-12-18 WO 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 (5 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-20210246106-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 PAOX 96/4885ALDH1A1 1039/4885TSHR 4654/4885
US-20160145212-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 PAOX 96/4885ALDH1A1 1039/4885TSHR 4654/4885
US-10207995-B2 Acetyl CoA carboxylase modulators ACACA, ACACB, ACAT2 PAOX 98/4885ALDH1A1 1076/4885TSHR 4698/4885
US-20190135757-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 PAOX 96/4885ALDH1A1 1039/4885TSHR 4654/4885
US-10995070-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 PAOX 96/4885ALDH1A1 1039/4885TSHR 4654/4885

“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.