SCHEMBL1717832

SCHEMBL1717832

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC(C)(C)C)C(C)(C)CCC1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.71
ALOX15 P16050 3/20 0.71
ALDH1A1 P00352 9/20 0.51
RXRA P19793 5/20 0.51
CYP3A4 P08684 5/20 0.51
RARA P10276 4/20 0.51
RARB P10826 4/20 0.51
RARG P13631 4/20 0.51
PTGS1 P23219 4/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
RORC P51449 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
MAPK1 P28482 2/20 0.51
HTR2B P41595 2/20 0.51
BLM P54132 2/20 0.51
HIF1A Q16665 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
DRD3 P35462 2/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL4389183 0.88 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL17769829 0.88 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL7088911 0.88 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL4389190 0.88 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL5905823 0.87 MAPT (0.74) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL10067470 0.86 MAPT (0.72) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL3389048 0.86 MAPT (0.72) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL25378972 0.84 MAPT (0.81) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL1578472 0.84 MAPT (0.81) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL3708856 0.84 MAPT (0.81) MAPTALOX15ALDH1A1RXRACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968993-B1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME FABRE PIERRE DERMO COSMETIQUE (FR) 2012-01-11 EP claimed
US-8481011-B2 Use of polyunsaturated compounds as whitening agents PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-07-09 US disclosed
US-8481011-B2 Use of polyunsaturated compounds as whitening agents PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-07-09 US disclosed
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US disclosed
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US disclosed
EP-1968993-B1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME FABRE PIERRE DERMO COSMETIQUE (FR) 2012-01-11 EP disclosed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 US disclosed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 US disclosed
US-20090304614-A1 Use of Polyunsaturated Compounds as Whitening Agents PIERRE FABRE DERMO-COSMETIQUE (FR) 2009-12-10 US disclosed
US-20090304614-A1 Use of Polyunsaturated Compounds as Whitening Agents PIERRE FABRE DERMO-COSMETIQUE (FR) 2009-12-10 US disclosed
WO-2007068745-A1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME PIERRE FABRE DERMO-COSMETIQUE (FR) 2007-06-21 WO disclosed
WO-2007068743-A1 USE OF POLYUNSATURATED COMPOUNDS AS WHITENING AGENTS PIERRE FABRE DERMO-COSMETIQUE (FR) 2007-06-21 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 (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-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same CBR3, CBR1, DECR1 MAPT 4344/4885ALOX15 24/4885ALDH1A1 396/4885
US-20090304614-A1 Use of Polyunsaturated Compounds as Whitening Agents FASN, ALOX5, ALOX15B MAPT 2405/4885ALOX15 5/4885ALDH1A1 277/4885

“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.