SCHEMBL812447

SCHEMBL812447

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL11128512 0.84 TDP1 (0.37) TDP1FFAR3ALDH1A1
SCHEMBL10926404 0.81 ALDH1A1 (0.39) TDP1ALDH1A1
SCHEMBL14345558 0.81 GABBR2 (0.37)
SCHEMBL12570564 0.79 RNPEP (0.39) TDP1FFAR3ALDH1A1
SCHEMBL11561306 0.79 CA1 (0.34) TSHR
SCHEMBL1709336 0.78
SCHEMBL1709289 0.78
SCHEMBL268198 0.78
SCHEMBL9550634 0.77 NAALAD2 (0.46)
SCHEMBL1782275 0.77 PTPN1 (0.35) TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110282102-A1 Method for Producing Aldehyde and Ketone ADH1C, ADH1A, ADH5 TDP1 3304/4885FFAR3 1492/4885ALDH1A1 6/4885

“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.