SCHEMBL2837117

SCHEMBL2837117

CCCCC[Al](CCCCC)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL1560487 0.98 LTA4H (0.46) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL27788476 0.96 LTA4H (0.44) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL2279832 0.94 LTA4H (0.47) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL27788474 0.91 LTA4H (0.43) LTA4HMLNRNR1I2ESR1NR3C1
SCHEMBL10880957 0.85 LTA4H (0.41) LTA4HKCNA3TSHR
SCHEMBL1561622 0.81 MAPT (0.41) NR1I2CNR1
SCHEMBL8715173 0.76 CA4 (0.42) LTA4HALDH1A1LMNAKCNA3TSHR
SCHEMBL3681302 0.74 ALDH1A1 (0.50) ESR1CHRM2ADRA2AADORA3CHRM1
SCHEMBL3689630 0.74 ALDH1A1 (0.50) ESR1CHRM2ADRA2AADORA3CHRM1
SCHEMBL3677578 0.74 ALDH1A1 (0.50) ESR1CHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988331-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2018-06-05 US claimed
EP-2225192-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2017-05-03 EP claimed
CN-104211566-A Method for producing optically active, racemic menthol BASF SE 2014-12-17 CN claimed
CN-101932543-B Process for producing optically active, racemic menthol BASF SE 2014-07-30 CN claimed
US-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2013-02-21 US claimed
US-8318985-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2012-11-27 US claimed
CN-101133067-B Diarylphenoxyaluminum compounds BASF AG 2012-05-02 CN claimed
CN-101932543-A Process for producing optically active, racemic menthol BASF SE 2010-12-29 CN claimed
US-20100249467-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2010-09-30 US claimed
EP-2225192-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2010-09-08 EP claimed
CN-101723809-A Diaryl phenoxy aluminium compound BASF SE 2010-06-09 CN claimed
US-7608742-B2 Diarylphenoxy aluminum compounds BASF AKTIENGESELLSCHAFT (DE) 2009-10-27 US claimed
WO-2009068444-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2009-06-04 WO claimed
EP-1858903-B1 DIARYLPHENOXY ALUMINUM COMPOUNDS BASF SE (DE) 2008-10-08 EP claimed
US-20080167504-A1 reacting a bis(diarylphenol) ligand with an alkylaluminum compound and/or a complex aluminum hydride; producing isopulegol by cyclization of citronellal in the presence of diarylphenoxyaluminum compounds as catalysts BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US claimed
CN-101133067-A Diarylphenoxyaluminum compounds BASF AG (DE) 2008-02-27 CN claimed
CN-107188781-B Method for preparing isopulegol from citronellal 万华化学集团股份有限公司 2020-07-24 CN disclosed
CN-108329194-A A kind of citronellal prepares the method for isopulegol and its recovery method of catalyst 万华化学集团股份有限公司 2018-07-27 CN disclosed
WO-2006092433-A1 DIARYLPHENOXY ALUMINUM COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 WO disclosed
WO-2006092433-A1 DIARYLPHENOXY ALUMINUM COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-09-08 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 (3 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-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL ADH1C, DHCR7, MSMO1 LTA4H 658/4885MLNR 4797/4885NR1I2 1122/4885
US-20080167504-A1 reacting a bis(diarylphenol) ligand with an alkylaluminum compound and/or a complex aluminum hydride; producing isopulegol by cyclization of citronellal in the presence of diarylphenoxyaluminum compounds as catalysts ACSL3, ACSL1, ACSL5 LTA4H 15/4885MLNR 4359/4885NR1I2 2024/4885
US-20100249467-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL ADH1C, DHCR7, MSMO1 LTA4H 658/4885MLNR 4797/4885NR1I2 1122/4885

“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.