SCHEMBL8225342

SCHEMBL8225342

COc1ccc(C(C)(C)C)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
SLC6A4 P31645 5/20 0.41
HTR2A P28223 4/20 0.41
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
ALOX5 P09917 1/20 0.38
LPAR1 Q92633 1/20 0.38
KCNH2 Q12809 3/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
JAK2 O60674 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
SCHEMBL27019647 0.87 HSP90AA1 (0.43) CA1CA2ALDH1A1GAASLC6A4
SCHEMBL12883816 0.83 CA1 (0.50) CA1CA2ALDH1A1GAASLC6A4
SCHEMBL1042825 0.82 CYP11B1 (0.43) CA1CA2ALDH1A1GAASLC6A4
SCHEMBL14107749 0.81 SLC6A4 (0.40) CA1CA2ALDH1A1SLC6A4HTR2A
SCHEMBL10320491 0.80 CA1 (0.56) CA1CA2ALDH1A1GAACA12
SCHEMBL21718996 0.80 LMNA (0.35) CA1CA2ALDH1A1ALOX5KCNH2
SCHEMBL3686783 0.80 SLC6A4 (0.39) CA1CA2ALDH1A1SLC6A4HTR2A
SCHEMBL13762179 0.79 NQO1 (0.46) CA1ALDH1A1GAACA12CA7
SCHEMBL29324776 0.79 PDE2A (0.34) ALDH1A1SLC6A4HTR2AHSP90AA1CYP1A2
SCHEMBL15496972 0.79 GPR3 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11673864-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-13 US disclosed
US-11673864-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-13 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 US disclosed
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2022-01-04 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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 (17 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA2 826/4885ALDH1A1 617/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 CA1 2311/4885CA2 1071/4885ALDH1A1 3152/4885
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CA1 4430/4885CA2 4296/4885ALDH1A1 2786/4885
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 CA1 2919/4885CA2 2235/4885ALDH1A1 2512/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CA1 4430/4885CA2 4296/4885ALDH1A1 2786/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CA1 2588/4885CA2 3102/4885ALDH1A1 252/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 CA1 3511/4885CA2 2575/4885ALDH1A1 1135/4885
US-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C CA1 2660/4885CA2 2360/4885ALDH1A1 2329/4885
US-11214541-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof CYP19A1, ESR1, GPER1 CA1 1912/4885CA2 2985/4885ALDH1A1 203/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CA1 4027/4885CA2 4153/4885ALDH1A1 814/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CA1 4296/4885CA2 3320/4885ALDH1A1 894/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A CA1 4430/4885CA2 4296/4885ALDH1A1 2786/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 CA1 1947/4885CA2 3145/4885ALDH1A1 224/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA2 826/4885ALDH1A1 617/4885
US-11673864-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 CA1 2724/4885CA2 311/4885ALDH1A1 1133/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R CA1 2812/4885CA2 2702/4885ALDH1A1 809/4885
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 CA1 2836/4885CA2 2119/4885ALDH1A1 3002/4885

“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.