SCHEMBL13701449

SCHEMBL13701449

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3659586 0.87 TSHR (0.38) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL13172935 0.75 FFAR3 (0.37) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL8462471 0.75 TDP1 (0.33) TDP1TSHRFFAR3ALDH1A1
SCHEMBL8744855 0.75
Alcohol SCHEMBL5806211 0.73 TSHR (0.43) TDP1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL13543296 0.73 TSHR (0.33) TDP1TSHRALDH1A1
SCHEMBL14102558 0.73 TSHR (0.33) TDP1TSHRALDH1A1
SCHEMBL105130 0.71 TSHR (0.40) TSHRCYP2D6CYP2C19HIF1AFFAR3
SCHEMBL276567 0.71
SCHEMBL184957 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090222951-A1 Method for producing polyunsaturated fatty acids in transgenic plants BASF PLANT SCIENCE GMBH (DE) 2009-09-03 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-20090222951-A1 Method for producing polyunsaturated fatty acids in transgenic plants FADS2, ELOVL3, SCD TDP1 1255/4885TSHR 1505/4885CYP2D6 425/4885

“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.