SCHEMBL1177883

SCHEMBL1177883

C1=CNOC=C1.CC(=O)CCC1=C(C)CCCC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
RARA P10276 1/20 0.46
RXRA P19793 1/20 0.46
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPA1 O75762 5/20 0.40
ALOX5 P09917 1/20 0.40
ALOX15 P16050 1/20 0.40
ACE2 Q9BYF1 4/20 0.38
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
POLK Q9UBT6 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL441670 0.82 RARB (0.56) RARBRARGRARARXRAALDH1A1
SCHEMBL20839002 0.73 ALOX5 (0.60) RARBRARGRARARXRAALDH1A1
SCHEMBL20839001 0.73 ALOX5 (0.60) RARBRARGRARARXRAALDH1A1
SCHEMBL15082362 0.72 RARB (0.49) RARBRARGRARARXRAALDH1A1
SCHEMBL15266487 0.71 RARB (0.56) RARBRARGRARARXRAALDH1A1
SCHEMBL12493073 0.70 RXRA (0.62) RARBRARGRARARXRAALDH1A1
SCHEMBL15609382 0.70 RXRA (0.62) RARBRARGRARARXRAALDH1A1
SCHEMBL24477138 0.69 ALOX5 (0.53) RARBRARGRARARXRAALDH1A1
SCHEMBL24475285 0.69 RARB (0.58) RARBRARGRARARXRAALDH1A1
SCHEMBL28250144 0.68 RARB (0.44) RARBRARGRARARXRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165101-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2011-07-07 US disclosed
US-20110028367-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2011-02-03 US disclosed
US-20100210495-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2010-08-19 US disclosed
US-20080171681-A1 3-(2-hydroxyphenyl)-2-propenamides that react to form a lactone and an amine; laundry detergents, perfumes, shampoos and hair conditioners DYKSTRA ROBERT RICHARD 2008-07-17 US disclosed
US-7368415-B2 Photo-labile pro-fragrance conjugates PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-20070264217-A1 Photo-labile pro-fragrance conjugates DYKSTRA ROBERT R 2007-11-15 US disclosed
US-7262156-B2 Photo-labile pro-fragrance conjugates PROCTER & GAMBLE COMPANY (US) 2007-08-28 US disclosed
US-20070117740-A1 Photo-labile pro-fragrance conjugates DYKSTRA ROBERT R 2007-05-24 US disclosed
US-7109153-B2 Photo-labile pro-fragrance conjugates PROCTER & GAMBLE COMPANY (US) 2006-09-19 US disclosed
US-20050245408-A1 Photo-labile pro-fragrance conjugates THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US disclosed
EP-1331922-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES THE PROCTER & GAMBLE COMPANY (US) 2003-08-06 EP disclosed
US-20020094938-A1 Photo-labile pro-fragrance conjugates THE PROCTER & GAMBLE COMPANY 2002-07-18 US disclosed
WO-2002038120-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES THE PROCTER & GAMBLE COMPANY (US) 2002-05-16 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 (7 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-20110165101-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 RARB 201/4885RARG 125/4885RARA 106/4885
US-20110028367-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 RARB 201/4885RARG 125/4885RARA 106/4885
US-20070117740-A1 Photo-labile pro-fragrance conjugates ERCC5, CUTA, TRPA1 RARB 201/4885RARG 125/4885RARA 106/4885
US-20080171681-A1 3-(2-hydroxyphenyl)-2-propenamides that react to form a lactone and an amine; laundry detergents, perfumes, shampoos and hair conditioners CUTA, PSAP, PSENEN RARB 1346/4885RARG 1064/4885RARA 1120/4885
US-20070264217-A1 Photo-labile pro-fragrance conjugates ERCC5, CUTA, TRPA1 RARB 201/4885RARG 125/4885RARA 106/4885
US-20020094938-A1 Photo-labile pro-fragrance conjugates ERCC5, CUTA, TRPA1 RARB 201/4885RARG 125/4885RARA 106/4885
US-20100210495-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 RARB 201/4885RARG 125/4885RARA 106/4885

“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.