SCHEMBL432453

SCHEMBL432453

COc1ccc(C2OCC(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.37
CYP19A1 P11511 1/20 0.37
HTR2C P28335 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL11329778 0.87 CYP11B1 (0.40) KMT2AALDH1A1DRD2MAPTMAPK1
SCHEMBL10451004 0.83 SLC6A2 (0.42) KMT2AKDM1AMAOAMAOBSLC6A2
SCHEMBL10406187 0.82 MMP2 (0.35) KMT2AMAOAMAOBSLC6A2SLC6A4
SCHEMBL13604657 0.81 KDM1A (0.44) KMT2AKDM1AMAOAMAOBSLC6A2
SCHEMBL13558666 0.81 TSHR (0.43) KMT2AALDH1A1
SCHEMBL13558665 0.81 NQO1 (0.45) KMT2AMAOAMAOBALDH1A1LMNA
SCHEMBL24245221 0.80 KMT2A (0.42) KMT2AKDM1AMAOAMAOBSLC6A2
SCHEMBL13380963 0.80 HTR2C (0.45) KMT2AKDM1ADRD2CYP19A1HTR2C
SCHEMBL18339449 0.79 CYP11B1 (0.37) KMT2AALDH1A1CYP19A1HTR2CLMNA
SCHEMBL13868830 0.79 KMT2A (0.41) KMT2AKDM1AMAOAMAOBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595642-A2 COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS The Procter and Gamble Company (US) 2013-05-29 EP claimed
WO-2012012385-A2 COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2012-01-26 WO claimed
CN-119144386-A Edible essence and preparation method and application thereof 深圳昱朋科技有限公司 2024-12-17 CN disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
US-20170290919-A1 ANTIBODY-DRUG CONJUGATE HAVING CYCLIC BENZYLIDENE ACETAL LINKER NOF CORPORATION (JP) 2017-10-12 US disclosed
US-20170107325-A1 HYDROPHILIC POLYMER DERIVATIVE HAVING CYCLIC BENZYLIDENE ACETAL LINKER NOF CORPORATION (JP) 2017-04-20 US disclosed
US-9585382-B2 Composition comprising a pesticide and an acetal solvent BASF SE (DE) 2017-03-07 US disclosed
US-9585382-B2 Composition comprising a pesticide and an acetal solvent BASF SE (DE) 2017-03-07 US disclosed
EP-2701502-B1 COMPOSITION COMPRISING A PESTICIDE AND AN ACETALIC SOLVENT BASF SE (DE) 2015-08-05 EP disclosed
US-20130224870-A1 FLUORESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-08-29 US disclosed
US-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent BASF SE (DE) 2012-11-01 US disclosed
US-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent BASF SE (DE) 2012-11-01 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 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 (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-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent DDT, APH1B, PRDX2 KMT2A 2132/4885KDM1A 920/4885MAOA 754/4885
US-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 KMT2A 2697/4885KDM1A 3759/4885MAOA 3875/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 KMT2A 2697/4885KDM1A 3759/4885MAOA 3875/4885
US-20170290919-A1 ANTIBODY-DRUG CONJUGATE HAVING CYCLIC BENZYLIDENE ACETAL LINKER H1-2, CD22, H1-0 KMT2A 303/4885KDM1A 302/4885MAOA 2359/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 KMT2A 4087/4885KDM1A 3769/4885MAOA 2675/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 KMT2A 2697/4885KDM1A 3759/4885MAOA 3875/4885
US-20170107325-A1 HYDROPHILIC POLYMER DERIVATIVE HAVING CYCLIC BENZYLIDENE ACETAL LINKER H1-2, H1-0, H1-3 KMT2A 753/4885KDM1A 559/4885MAOA 4612/4885

“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.