SCHEMBL113841

SCHEMBL113841

CC(O)CC(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
GRIN1 Q05586 6/20 0.42
GRIN2A Q12879 6/20 0.42
GRIN2D O15399 5/20 0.42
GRIN2C Q14957 5/20 0.42
GRIN2B Q13224 4/20 0.42
TRPA1 O75762 1/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
RIPK1 Q13546 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4399836 1.00 TAAR1 (0.50) TAAR1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL4399833 1.00 TAAR1 (0.50) TAAR1GRIN1GRIN2AGRIN2DGRIN2C
Ammonia Solution, Strong SCHEMBL27739613 0.98 TAAR1 (0.48) TAAR1GRIN1GRIN2AGRIN2DGRIN2C
Acetic Acid SCHEMBL28441452 0.92 CYP2C19 (0.44) TAAR1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL17275040 0.89 SHBG (0.41) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL10952717 0.83 CYP2C19 (0.44) TAAR1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL6681969 0.82 TAAR1 (0.54) TAAR1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL4402677 0.81 TSHR (0.44) ALDH1A1ESR1ESR2MAPTKMT2A
SCHEMBL7024056 0.81 TAAR1 (0.48) TAAR1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL4402678 0.81 TSHR (0.44) ALDH1A1ESR1ESR2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235510-A1 ANTI-DANDRUFF COMPOSITIONS ANALYTICON DISCOVERY GMBH (DE) 2024-11-21 WO claimed
EP-4464309-A1 ANTIDANDRUFF COMPOSITION COMPRISING 1-ACETOXYCHAVICOL ACETATE Analyticon Discovery GmbH (DE) 2024-11-20 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 CN claimed
CN-110144139-A A kind of zinc oxide base nano particle ink and photoelectric device 纳晶科技股份有限公司 2019-08-20 CN claimed
US-10022310-B2 Synergistic mixtures of aromatic alcohols and derivatives thereof and tropolone (derivatives) SYMRISE AG (DE) 2018-07-17 US claimed
US-20150231045-A1 ANTI-DANDRUFF COMPOSITION COMPRISING 1-ACETOXYCHAVICOL ACETATE ANALYTICON DISCOVERY GMBH (DE) 2015-08-20 US claimed
EP-2897574-A2 ANTI-DANDRUFF COMPOSITION COMPRISING 1-ACETOXYCHAVICOL ACETATE AnalytiCon Discovery GmbH (DE) 2015-07-29 EP claimed
WO-2014037529-A9 ANTI-DANDRUFF COMPOSITION ANALYTICON DISCOVERY GMBH (DE) 2014-05-01 WO claimed
WO-2014037529-A2 ANTI-DANDRUFF COMPOSITION ANALYTICON DISCOVERY GMBH (DE) 2014-03-13 WO claimed
US-20090306154-A1 SYNERGISTIC ANTI-MICROBIAL MIXTURES OF TROPOLONE (DERIVATIVES) AND SELECTED COMPOUNDS SYMRISE GMBH & CO., KG (DE) 2009-12-10 US claimed
US-20090226537-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2009-09-10 US claimed
EP-2051584-A2 SYNERGISTIC ANTI-MICROBIAL MIXTURES OF TROPOLONE (DERIVATIVES) AND SELECTED COMPOUNDS Symrise GmbH & Co. KG (DE) 2009-04-29 EP claimed
EP-1959915-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING Symrise GmbH & Co. KG (DE) 2008-08-27 EP claimed
EP-1898952-A2 SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) Symrise GmbH & Co. KG (DE) 2008-03-19 EP claimed
WO-2008006718-A2 SYNERGISTIC ANTI-MICROBIAL MIXTURES OF TROPOLONE (DERIVATIVES) AND SELECTED COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2008-01-17 WO claimed
WO-2007062957-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2007-06-07 WO claimed
US-20070054967-A1 SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) SYMRISE GMBH & CO. KG (DE) 2007-03-08 US claimed
WO-2006134160-A2 SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) SYMRISE GMBH & CO. KG (DE) 2006-12-21 WO claimed
EP-1535602-A1 Cosmetic compositions comprising fatty acids Beiersdorf AG (DE) 2005-06-01 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10022310-B2 Synergistic mixtures of aromatic alcohols and derivatives thereof and tropolone (derivatives) CBR3, NR1H3, NR1H2 TAAR1 328/4885GRIN1 2228/4885GRIN2A 4008/4885
US-20090306154-A1 SYNERGISTIC ANTI-MICROBIAL MIXTURES OF TROPOLONE (DERIVATIVES) AND SELECTED COMPOUNDS CBR3, MTPN, UTRN TAAR1 3896/4885GRIN1 2001/4885GRIN2A 4027/4885
US-20090226537-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING H1-0, ASIC1, NHERF1 TAAR1 163/4885GRIN1 1441/4885GRIN2A 3284/4885
US-20070054967-A1 SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) NR1H3, NR1H2, CBR3 TAAR1 362/4885GRIN1 2134/4885GRIN2A 3888/4885
US-20150231045-A1 ANTI-DANDRUFF COMPOSITION COMPRISING 1-ACETOXYCHAVICOL ACETATE GANAB, GANC, AMY1A TAAR1 1406/4885GRIN1 1487/4885GRIN2A 972/4885

“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.