SCHEMBL1047574

SCHEMBL1047574

Cc1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.52
TRPA1 O75762 4/20 0.50
AR P10275 2/20 0.50
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
BACE1 P56817 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CNR2 P34972 1/20 0.44
ENPP1 P22413 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL28922699 0.98 HSD11B1 (0.50) HSD11B1TRPA1ARAKR1C3AKR1C2
SCHEMBL22304414 0.89 AR (0.58) HSD11B1TRPA1ARFFAR4BACE1
SCHEMBL24297565 0.87 AR (0.56) HSD11B1TRPA1ARFFAR4BACE1
SCHEMBL11286015 0.83 KIF11 (0.54) HSD11B1TRPA1ARFFAR4BACE1
SCHEMBL29980535 0.83 KIF11 (0.54) HSD11B1TRPA1ARFFAR4BACE1
SCHEMBL5523215 0.83 KIF11 (0.54) HSD11B1TRPA1ARFFAR4BACE1
SCHEMBL14296195 0.82 AKR1C3 (0.40) HSD11B1TRPA1ARAKR1C3AKR1C2
SCHEMBL163729 0.82 HSD11B1 (0.55) HSD11B1TRPA1ARFFAR4BACE1
SCHEMBL30679727 0.81 NR3C1 (0.52) HSD11B1TRPA1ARFFAR4BACE1
Benzene SCHEMBL29143034 0.80 AR (0.50) HSD11B1TRPA1ARFFAR4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2023156485-A1 TRIARYLALKYL BORATE SALTS AS COINITIATORS IN NIR PHOTOPOLYMER COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
EP-3242875-B1 4,5-DIHYDROIMIDAZOLE DERIVATIVES AND THEIR USE AS HISTONE DEMETHYLASE (KDM2B) INHIBITORS GENENTECH INC (US) 2022-02-23 EP disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
WO-2016112251-A1 4,5-DIHYDROIMIDAZOLE DERIVATIVES AND THEIR USE AS HISTONE DEMETHYLASE (KDM2B) INHIBITORS GENENTECH, INC. (US) 2016-07-14 WO disclosed
US-7256206-B2 1-[4-(3-Amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-ethanone-O-biphenyl-4-ylmethyl-oxime, used as modulators of lipid activated G-protein coupled receptors specific for sphingosine-1-phosphate; prevention of autoimmune diseases or as angiogenesis inhibitors IRM LLC (BM) 2007-08-14 US disclosed
US-7256206-B2 1-[4-(3-Amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-ethanone-O-biphenyl-4-ylmethyl-oxime, used as modulators of lipid activated G-protein coupled receptors specific for sphingosine-1-phosphate; prevention of autoimmune diseases or as angiogenesis inhibitors IRM LLC (BM) 2007-08-14 US disclosed
CN-1802350-A Azetidinecarboxamide derivatives and their use in the treatment of CB1Use in receptor-mediated disorders VERNALIS RES LTD (GB) 2006-07-12 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 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 (6 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 HSD11B1 3544/4885TRPA1 4872/4885AR 1743/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HSD11B1 256/4885TRPA1 3038/4885AR 254/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 HSD11B1 608/4885TRPA1 280/4885AR 1888/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 HSD11B1 637/4885TRPA1 4682/4885AR 525/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 HSD11B1 977/4885TRPA1 4884/4885AR 2265/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A HSD11B1 837/4885TRPA1 4635/4885AR 599/4885

“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.