SCHEMBL12422332

SCHEMBL12422332

COc1ccc(OC)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AR P10275 5/20 0.47
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL29775318 1.00 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL3131157 0.85 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL22829 0.85 AR (0.43) CA12CA1CA2CA7CA9
SCHEMBL27821346 0.83 RXRA (0.48) CA12CA1CA2CA7CA9
SCHEMBL31193485 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7909509 0.83 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4628852 0.83 EPHX2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2786289 0.82 AR (0.53) CA12CA1CA2CA7CA9
SCHEMBL7587408 0.82 AR (0.41) CA12CA1CA2CA7CA9
SCHEMBL19886499 0.82 AR (0.41) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761083-B 5-HT for treating depression 2A Agonists 罗福拉公司 2024-02-13 CN disclosed
EP-3962601-B1 5-HT2A AGONISTS FOR USE IN TREATMENT OF DEPRESSION Lophora ApS (DK) 2023-05-31 EP disclosed
US-11642336-B2 5-HT2A agonists for use in treatment of depression Lophora ApS (DK) 2023-05-09 US disclosed
US-11633390-B2 5-HT2A agonists for use in treatment of depression Lophora ApS (DK) 2023-04-25 US disclosed
US-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-09-29 US disclosed
CN-114761083-A 5-HT for the treatment of depression2AAgonists 罗福拉公司 2022-07-15 CN disclosed
EP-4026821-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION National University Corporation Hokkaido University (JP) 2022-07-13 EP disclosed
US-20220062257-A1 5-HT2A AGONISTS FOR USE IN TREATMENT OF DEPRESSION Lophora ApS (DK) 2022-03-03 US disclosed
US-11246860-B2 5-HT2A agonists for use in treatment of depression Lophora ApS (DK) 2022-02-15 US disclosed
US-20210330658-A1 5-HT2A AGONISTS FOR USE IN TREATMENT OF DEPRESSION Lophora ApS (DK) 2021-10-28 US disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 WO disclosed
EP-3215476-B1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA AG (CH) 2018-02-28 EP disclosed
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2017-11-09 US disclosed
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA LTD (CH) 2017-11-09 US disclosed
US-9809596-B1 Method for preparation of fluoro, chloro and fluorochloro alkylated compounds by homogeneous catalysis LONZA LTD. (CH) 2017-11-07 US disclosed
US-9809596-B1 Method for preparation of fluoro, chloro and fluorochloro alkylated compounds by homogeneous catalysis LONZA LTD. (CH) 2017-11-07 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 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-20210330658-A1 5-HT2A AGONISTS FOR USE IN TREATMENT OF DEPRESSION HTR2A, HTR2C, HTR5A CA12 4557/4885CA1 4622/4885CA2 3237/4885
US-20220062257-A1 5-HT2A AGONISTS FOR USE IN TREATMENT OF DEPRESSION HTR2A, HTR2C, HTR5A CA12 4557/4885CA1 4622/4885CA2 3237/4885
US-11642336-B2 5-HT2A agonists for use in treatment of depression HTR2A, HTR2C, HTR5A CA12 4557/4885CA1 4622/4885CA2 3237/4885
US-20170320878-A1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS AOC1, HDHD5, DDT CA12 1884/4885CA1 1916/4885CA2 3443/4885
US-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION PIEZO1, PPOX, TAOK1 CA12 4560/4885CA1 4586/4885CA2 4003/4885
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 CA12 3061/4885CA1 1749/4885CA2 1520/4885
US-11633390-B2 5-HT2A agonists for use in treatment of depression HTR2A, HTR2C, HTR5A CA12 4557/4885CA1 4622/4885CA2 3237/4885
US-11246860-B2 5-HT2A agonists for use in treatment of depression HTR2A, HTR2C, HTR5A CA12 4557/4885CA1 4622/4885CA2 3237/4885
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 CA12 3278/4885CA1 3467/4885CA2 3654/4885

“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.