SCHEMBL813121

SCHEMBL813121

CCC(C)CC(C)CC(C)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PTPN1 P18031 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
SCHEMBL17967769 1.00 ALDH1A1 (0.46) ALDH1A1TDP1PTPN1
SCHEMBL12894214 0.98 ALDH1A1 (0.48) ALDH1A1TDP1PTPN1
SCHEMBL1785337 0.98 ALDH1A1 (0.48) ALDH1A1TDP1PTPN1
SCHEMBL4984202 0.85
SCHEMBL7540967 0.85
SCHEMBL27601579 0.85
SCHEMBL270159 0.85
SCHEMBL14011785 0.80 ALDH1A1 (0.37) ALDH1A1TDP1PTPN1
SCHEMBL1781202 0.79 TDP1 (0.44) ALDH1A1TDP1
SCHEMBL12302896 0.79 TDP1 (0.44) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53130618-A None JP disclosed
US-20210161130-A1 COMPOSITIONS FOR ATTRACTING PESTS AND USES THEREOF DOMOBIOS (BE) 2021-06-03 US disclosed
EP-3813530-A1 COMPOSITIONS FOR ATTRACTING PESTS AND USES THEREOF Domobios (BE) 2021-05-05 EP disclosed
EP-2386535-B1 Method for producing aldehyde and ketone SHINETSU CHEMICAL CO (JP) 2014-06-25 EP disclosed
US-8383863-B2 Method for producing aldehyde and ketone SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110282102-A1 Method for Producing Aldehyde and Ketone SHIN-ETSU CHEMICAL CO., LTD. 2011-11-17 US disclosed
EP-2386535-A1 Method for producing aldehyde and ketone Shin-Etsu Chemical Co., Ltd. (JP) 2011-11-16 EP disclosed
US-8041455-B2 Robotic cart pulling vehicle AETHON, INC. (US) 2011-10-18 US disclosed
JP-S53130618-A PREPARATION OF 2,4,6,8 TETRAMETHYLDECANOIC ACID OR ITS ESTER KURARAY CO LTD 1978-11-14 JP 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-20110282102-A1 Method for Producing Aldehyde and Ketone ADH1C, ADH1A, ADH5 ALDH1A1 6/4885TDP1 3304/4885PTPN1 4545/4885
US-20210161130-A1 COMPOSITIONS FOR ATTRACTING PESTS AND USES THEREOF ACAT1, ATL3, NISCH ALDH1A1 2159/4885TDP1 4207/4885PTPN1 3571/4885

“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.