SCHEMBL680344

SCHEMBL680344

COc1cc(OC(F)(F)F)ccc1C=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
L3MBTL1 Q9Y468 1/20 0.50
CYP1A1 P04798 8/20 0.49
CYP1B1 Q16678 8/20 0.49
CYP1A2 P05177 7/20 0.49
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RUNX1 Q01196 1/20 0.45
TRIM24 O15164 1/20 0.45
TYR P14679 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NFE2L2 Q16236 2/20 0.44
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL12952801 0.88 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4ETSHRTDP1
SCHEMBL1985337 0.87 TUBB1 (0.51) ALDH1A1L3MBTL1CYP1A1CYP1B1CYP1A2
SCHEMBL3718733 0.87 ALDH1A1 (0.69) ALDH1A1L3MBTL1CYP1A1CYP1B1CYP1A2
SCHEMBL20638988 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP1A1CYP1B1KDM4E
SCHEMBL22208757 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP1A2KDM4ETSHR
SCHEMBL96291 0.82 ALDH1A1 (1.00) ALDH1A1L3MBTL1CYP1A1CYP1B1CYP1A2
Hydrochloric Acid SCHEMBL9456784 0.80 ALDH1A1 (0.96) ALDH1A1L3MBTL1CYP1A1CYP1B1CYP1A2
SCHEMBL2001499 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1CYP1A1CYP1B1CYP1A2
SCHEMBL28328818 0.80 LMNA (0.56) ALDH1A1CYP1A2TSHRKMT2ALMNA
SCHEMBL1221345 0.79 GPR3 (0.41) ALDH1A1CYP1A2TSHRTRIM24TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 US disclosed
EP-3860984-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 CN disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020070088-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-09 WO disclosed
CN-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed
EP-2809671-B1 IMIDAZO [4, 5 - B]PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON INC (US) 2016-01-13 EP disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
EP-2809671-A1 IMIDAZO [4, 5 - B]PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cephalon, Inc. (US) 2014-12-10 EP disclosed
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders CEPHALON, INC. 2014-11-27 US disclosed
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
WO-2013116291-A1 IMIDAZO [4, 5 - B] PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON, INC. (US) 2013-08-08 WO disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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 (9 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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A ALDH1A1 643/4885L3MBTL1 4391/4885CYP1A1 259/4885
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders JAK1, ALK, JAK2 ALDH1A1 653/4885L3MBTL1 3318/4885CYP1A1 1377/4885
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 ALDH1A1 2392/4885L3MBTL1 4251/4885CYP1A1 1288/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 ALDH1A1 912/4885L3MBTL1 3583/4885CYP1A1 192/4885
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR ALDH1A1 4088/4885L3MBTL1 4396/4885CYP1A1 4622/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 ALDH1A1 1306/4885L3MBTL1 3667/4885CYP1A1 478/4885
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 ALDH1A1 455/4885L3MBTL1 1655/4885CYP1A1 19/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 ALDH1A1 455/4885L3MBTL1 1655/4885CYP1A1 19/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 ALDH1A1 912/4885L3MBTL1 3583/4885CYP1A1 192/4885

“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.