SCHEMBL1121580

SCHEMBL1121580

COc1ccc(C=O)cc1OCC(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.66
TSHR P16473 1/20 0.66
FDPS P14324 1/20 0.61
PDE4B Q07343 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 2/20 0.51
AOX1 Q06278 1/20 0.51
TRIM24 O15164 1/20 0.51
HPGD P15428 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
TTR P02766 1/20 0.49
NPC1 O15118 2/20 0.48

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
SCHEMBL31009650 1.00 ALDH1A1 (0.66) ALDH1A1TSHRFDPSPDE4BSMN1; SMN2
SCHEMBL30262368 0.94 FDPS (0.71) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL7034558 0.94 FDPS (0.71) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL7025457 0.86 ALDH1A1 (0.60) ALDH1A1TSHRFDPSPDE4BSMN1; SMN2
SCHEMBL3138383 0.86 ALDH1A1 (0.61) ALDH1A1TSHRFDPSPDE4BSMN1; SMN2
SCHEMBL2264908 0.86 ALDH1A1 (0.64) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL25201579 0.85 PDE4B (0.60) ALDH1A1TSHRFDPSPDE4BSMN1; SMN2
SCHEMBL6226106 0.84 ALDH1A1 (0.62) ALDH1A1TSHRFDPSPDE4BSMN1; SMN2
SCHEMBL2555018 0.84 ALDH1A1 (0.57) ALDH1A1TSHRFDPSSMN1; SMN2MAPT
SCHEMBL20024759 0.83 FDPS (0.65) ALDH1A1TSHRFDPSSMN1; SMN2MAPT

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122847-A1 PERFUME SYSTEMS The Procter & Gamble Company (US) 2017-02-01 EP claimed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US claimed
WO-2015148743-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO claimed
US-20150275132-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2015-10-01 US claimed
EP-0709361-B1 Process for the preparation of isovanilline RHODIA CHIMIE SA (FR) 1999-02-03 EP claimed
US-5786516-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1998-07-28 US claimed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US claimed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP claimed
EP-3521409-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2019-08-07 EP disclosed
EP-3521409-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2019-08-07 EP disclosed
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US disclosed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US disclosed
WO-2015148743-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO disclosed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US disclosed
EP-0758639-A1 Process for preparing isovanillin UBE INDUSTRIES, LTD. (JP) 1997-02-19 EP disclosed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP disclosed
US-4193926-A 4-(Polyalkoxy phenyl)-2-pyrrolidones SCHERING AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed
US-4153713-A NEUROPSYCHOTROPIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1979-05-08 US disclosed
US-4012495-A USED IN TREATING NEUROLOGICAL AND PSYCHIC DISORDERS SCHERING AKTIENGESELLSCHAFT (DT) 1977-03-15 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 (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-20160289593-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 ALDH1A1 1292/4885TSHR 4787/4885FDPS 194/4885
US-20150275132-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 ALDH1A1 1292/4885TSHR 4787/4885FDPS 194/4885

“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.