SCHEMBL1547577

SCHEMBL1547577

CCOc1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
KDM1A O60341 2/20 0.53
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
TUBB1 Q9H4B7 1/20 0.45
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
BRD4 O60885 2/20 0.43
TRPA1 O75762 3/20 0.42
CACNA1C Q13936 1/20 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
SCHEMBL2523519 0.84 L3MBTL1 (0.53) L3MBTL1KDM1ACYP1A2CYP2D6CYP2C19
SCHEMBL5961831 0.83 HTR2C (0.50) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9340707 0.83 L3MBTL1 (0.46) L3MBTL1KDM1ACYP1A2CYP2D6CYP2C19
SCHEMBL9484876 0.83 L3MBTL1 (0.53) L3MBTL1KDM1AALDH1A1MEN1POLB
SCHEMBL1539296 0.83 L3MBTL1 (0.53) L3MBTL1KDM1ACYP1A2CYP2D6CYP2C19
SCHEMBL878692 0.82 FAAH (0.53) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16440282 0.81 CACNA1C (0.59) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL2053269 0.81 NQO1 (0.52) L3MBTL1KDM1ACYP1A2CYP2D6CYP2C19
SCHEMBL130839 0.81 KDM1A (0.51) L3MBTL1KDM1ATDP1ALDH1A1MEN1
SCHEMBL8232376 0.81 HTT (0.48) L3MBTL1KDM1ACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257397-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TAXIS PHARMACEUTICALS, INC. (US) 2023-08-17 US disclosed
US-20230025327-A1 CONJUGATES OF TUBULYSIN DERIVATIVES AND CELL BINDING MOLECULES AND METHODS OF MAKING HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-26 US disclosed
WO-2022161416-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2022-08-04 WO 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
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
US-20040106039-A1 nonaqueous electrolytic solution containing a compound that is oxidized at a voltage > a charge end voltage of the battery and a compound which inhibits reactions at voltages < the charge end voltage ARAI JUICHI (JP) 2004-06-03 US disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 US disclosed
US-20030003370-A1 Nonaqueous electrolytic solution containing a compound which is oxidized at a voltage higher than a charge end voltage of the lithium secondary battery and a compound which inhibits reactions at voltages lower than said charge end voltage. HITACHI, LTD. (JP) 2003-01-02 US disclosed
EP-1258939-A2 Lithium secondary battery Hitachi, Ltd. (JP) 2002-11-20 EP disclosed
EP-0401167-B1 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
US-5075467-A Reacting organotitanium halide with lithium amide CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
EP-0401167-A2 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA-GEIGY AG (CH) 1990-12-05 EP 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 (7 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 L3MBTL1 3772/4885KDM1A 839/4885CYP1A2 1331/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 L3MBTL1 4289/4885KDM1A 702/4885CYP1A2 84/4885
US-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 L3MBTL1 1450/4885KDM1A 81/4885CYP1A2 4776/4885
US-20230025327-A1 CONJUGATES OF TUBULYSIN DERIVATIVES AND CELL BINDING MOLECULES AND METHODS OF MAKING TEK, TEKT1, EPCAM L3MBTL1 846/4885KDM1A 3813/4885CYP1A2 4667/4885
US-20230257397-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TXN, TBXAS1, TXK L3MBTL1 2848/4885KDM1A 4278/4885CYP1A2 1149/4885
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 L3MBTL1 4856/4885KDM1A 3656/4885CYP1A2 1544/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 L3MBTL1 4204/4885KDM1A 3562/4885CYP1A2 4411/4885

“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.