SCHEMBL3203530

SCHEMBL3203530

CC(=O)c1cc(C)c(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
HTT P42858 5/20 0.37
NCOA3 Q9Y6Q9 1/20 0.36
MAPT P10636 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRPF1 P55201 1/20 0.35
HSD17B1 P14061 1/20 0.35

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
SCHEMBL4403107 0.94 SMN1; SMN2 (0.52) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL14436800 0.92 SMN1; SMN2 (0.56) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL26115100 0.82 KDM4E (0.44) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL3285509 0.82 ALDH1A1 (0.48) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL30597489 0.82 KDM4E (0.44) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL29657461 0.82 ALDH1A1 (0.48) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL12198248 0.80 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL2791334 0.80 GPR27 (0.42) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL19161558 0.80 TSHR (0.50) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL14924942 0.80 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200251661-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-08-06 US disclosed
US-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-12 US disclosed
EP-2135671-B1 Catalyst and method for producing carboxylic acid and/or carboxylic anhydride in the presence of the catalyst MITSUBISHI GAS CHEMICAL CO (JP) 2015-03-04 EP disclosed
US-8357625-B2 Catalyst and method for producing carboxylic acid and/or carboxylic anhydride in the presence of the catalyst MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-01-22 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-1701938-B1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2012-07-25 EP disclosed
EP-1701938-B1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2012-07-25 EP disclosed
WO-2011143343-A1 INTEGRATION-FREE HUMAN INDUCED PLURIPOTENT STEM CELLS FROM BLOOD IPIERIAN, INC. (US) 2011-11-17 WO disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 US disclosed
EP-1701938-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME Genfit (FR) 2006-09-20 EP disclosed
US-7019166-B2 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2006-03-28 US disclosed
US-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid BAYER CROPSCIENCE AG (DE) 2005-08-18 US disclosed
WO-2005073184-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2005-08-11 WO disclosed
EP-1494987-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID Bayer CropScience AG (DE) 2005-01-12 EP disclosed
WO-2003084914-A1 METHOD FOR THE PRODUCTION OF 2,4,5-TRIMETHYLPHENYL ACETIC ACID BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-10-16 WO disclosed
US-4184874-A Photosensitive composition containing chelate compound FUJI PHOTO FILM CO., LTD. (JP) 1980-01-22 US disclosed
US-3975373-A CYCLOPENTANONE HELVETICOSIDE JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-08-17 US disclosed
US-3951946-A Cardioglycoside derivatives of the strophanthidin type, a process for their manufacture and medicinal preparations containing these compounds JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-04-20 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 (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-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, SNRPD2, RDX SMN1; SMN2 1855/4885TSHR 635/4885ALDH1A1 1364/4885
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same TYR, DHPS, DDT SMN1; SMN2 3337/4885TSHR 4505/4885ALDH1A1 7/4885
US-20050182274-A1 Method for the production of 2,4,5-trimethylphenyl acetic acid CA6, DDC, HACL2 SMN1; SMN2 4449/4885TSHR 2279/4885ALDH1A1 234/4885
US-20200251661-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME ODC1, OR10J3, CYP1A1 SMN1; SMN2 2582/4885TSHR 3861/4885ALDH1A1 82/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 SMN1; SMN2 3014/4885TSHR 4176/4885ALDH1A1 1380/4885

“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.