SCHEMBL14849282

SCHEMBL14849282

CCC/C=C\CCC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
PPARG P37231 4/20 0.40
MAPT P10636 3/20 0.40
CYP19A1 P11511 2/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXRA P19793 1/20 0.40
OXER1 Q8TDS5 1/20 0.40
FAAH O00519 4/20 0.39
TERT O14746 3/20 0.39
PTPN1 P18031 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39

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
SCHEMBL19128348 1.00 TDP1 (0.43) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL19128346 1.00 TDP1 (0.43) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL4708110 0.85 ALDH1A1 (0.56) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL15241269 0.85 ALDH1A1 (0.56) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL4708111 0.85 ALDH1A1 (0.56) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL16980399 0.84 FAAH (0.59) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL9389884 0.83 TDP1 (0.41) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL726217 0.83 TDP1 (0.41) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL9389879 0.83 TDP1 (0.41) TDP1PPARGMAPTCYP19A1FFAR1
SCHEMBL726218 0.83 TDP1 (0.41) TDP1PPARGMAPTCYP19A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865122-B2 Methods and compositions for protein labelling GENENTECH, INC. (US) 2014-10-21 US disclosed
US-20130089884-A1 Protein Modification from the Oxidation of Clickable Polyunsaturated Fatty Acid Analogs Life Technologies Corporation (US) 2013-04-11 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-20130089884-A1 Protein Modification from the Oxidation of Clickable Polyunsaturated Fatty Acid Analogs FASN, ACSL6, FADS1 TDP1 4209/4885PPARG 200/4885MAPT 4637/4885

“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.