SCHEMBL726217

SCHEMBL726217

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 2/20 0.39
FFAR1 O14842 1/20 0.39
RXRA P19793 1/20 0.39
OXER1 Q8TDS5 1/20 0.39
TOP1 P11387 3/20 0.36
FAAH O00519 4/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
TERT O14746 3/20 0.33
PTPN1 P18031 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PTGS1 P23219 2/20 0.33
FABP4 P15090 2/20 0.33

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
SCHEMBL9389884 1.00 TDP1 (0.41) TDP1PPARGMAPTALDH1A1CYP19A1
SCHEMBL726218 1.00 TDP1 (0.41) TDP1PPARGMAPTALDH1A1CYP19A1
SCHEMBL9389879 1.00 TDP1 (0.41) TDP1PPARGMAPTALDH1A1CYP19A1
SCHEMBL4400514 0.95
SCHEMBL4582063 0.95
SCHEMBL16346691 0.92 TOP1 (0.48) TDP1PPARGMAPTCYP19A1TOP1
SCHEMBL16346692 0.92 TOP1 (0.48) TDP1PPARGMAPTCYP19A1TOP1
SCHEMBL572040 0.84 TDP1 (0.39) TDP1PPARGMAPTALDH1A1CYP19A1
SCHEMBL572041 0.84 TDP1 (0.39) TDP1PPARGMAPTALDH1A1CYP19A1
SCHEMBL14849282 0.83 TDP1 (0.43) TDP1PPARGMAPTALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611200-B2 (6R,10R)-6,10,14-trimetylpentadecan-2-one prepared from 6,10,14 trimetylpentadeca-5,9,13-trien-2-one or 6,10,14-trimetylpentadeca-5,9-dien-2-one DSM IP ASSETS B.V. (NL) 2017-04-04 US disclosed
US-20150329456-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 6,10,14 TRIMETYLPENTADECA-5,9,13-TRIEN-2-ONE OR 6,10,14-TRIMETYLPENTADECA-5,9-DIEN-2-ONE DSM IP ASSETS B.V. (NL) 2015-11-19 US disclosed
WO-2012026813-A2 ANALOGS OF GERANYLGERANYLACETONE (GGA) AND USES THEREOF NYKEN HOLDING B.V. (NL) 2012-03-01 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 (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-20150329456-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 6,10,14 TRIMETYLPENTADECA-5,9,13-TRIEN-2-ONE OR 6,10,14-TRIMETYLPENTADECA-5,9-DIEN-2-ONE CYP3A5, ADRA1D, HTR5A TDP1 1801/4885PPARG 4502/4885MAPT 3057/4885

“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.