SCHEMBL787790

SCHEMBL787790

O=CC=Cc1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TRPA1 O75762 1/20 0.58
LMNA P02545 1/20 0.58
ALOX5 P09917 1/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
XDH P47989 2/20 0.43
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
MAOB P27338 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
APP P05067 3/20 0.32

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
SCHEMBL1310214 0.81 ALDH1A1 (0.75) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL1310216 0.81 ALDH1A1 (0.75) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL210914 0.78 MAOB (0.33) ALDH1A1TRPA1LMNAALOX5KDM4E
SCHEMBL152100 0.78 MAOB (0.33) ALDH1A1TRPA1LMNAALOX5KDM4E
Cinnamaldehyde SCHEMBL28538253 0.77 ALDH1A1 (0.95) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL4629980 0.75 MAOB (0.36) ALDH1A1TRPA1LMNAALOX5MAPK1
Cinnamaldehyde SCHEMBL25267814 0.74 ALDH1A1 (1.00) ALDH1A1TRPA1LMNAALOX5MAPK1
Cinnamaldehyde SCHEMBL3442 0.74 ALDH1A1 (1.00) ALDH1A1TRPA1LMNAALOX5MAPK1
Cinnamaldehyde SCHEMBL2203965 0.74 ALDH1A1 (1.00) ALDH1A1TRPA1LMNAALOX5MAPK1
Cinnamic Aldehyde SCHEMBL1866630 0.74 ALDH1A1 (1.00) ALDH1A1TRPA1LMNAALOX5MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616424-B1 METHOD FOR PRODUCING 2-METHYL-3-(4-TERT-BUTYLPHENYL)-PROPANAL HAVING HIGH PARA-ISOMER PURITY BASF SE (DE) 2015-08-26 EP claimed
US-8614358-B2 Process for preparing 2-methyl-3-(4-tert-butylphenyl)propanal with high para-isomer purity BASF SE (DE) 2013-12-24 US claimed
US-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY BASF SE (DE) 2012-03-22 US claimed
US-8614358-B2 Process for preparing 2-methyl-3-(4-tert-butylphenyl)propanal with high para-isomer purity BASF SE (DE) 2013-12-24 US disclosed
US-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY BASF SE (DE) 2012-03-22 US disclosed
US-6683092-B1 BREAST AND/OR PROSTATE CANCER ALLERGAN, INC. 2004-01-27 US disclosed
EP-0541640-B1 PROCESS FOR LIGHT-INDUCED ORIENTATION OF LIQUID CRYSTAL POLYMERS FOR THE PURPOSE OF REVERSIBLE DATA STORAGE AGFA GEVAERT AG (DE) 1996-03-20 EP disclosed
EP-0541640-A1 LIQUID CRYSTAL POLYMERS AND PROCESS FOR LIGHT-INDUCED ORIENTATION OF SAID POLYMERS FOR THE PURPOSE OF REVERSIBLE DATA STORAGE. AGFA GEVAERT AG (DE) 1993-05-19 EP disclosed
EP-0541640-A1 LIQUID CRYSTAL POLYMERS AND PROCESS FOR LIGHT-INDUCED ORIENTATION OF SAID POLYMERS FOR THE PURPOSE OF REVERSIBLE DATA STORAGE. AGFA GEVAERT AG (DE) 1993-05-19 EP disclosed
WO-1992002930-A1 LIQUID CRYSTAL POLYMERS AND PROCESS FOR LIGHT-INDUCED ORIENTATION OF SAID POLYMERS FOR THE PURPOSE OF REVERSIBLE DATA STORAGE AGFA-GEVAERT AG (DE) 1992-02-20 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 (1 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-20120071696-A1 PROCESS FOR PREPARING 2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL WITH HIGH PARA-ISOMER PURITY HPD, PAH, PTMA ALDH1A1 97/4885TRPA1 1415/4885LMNA 1464/4885

“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.