SCHEMBL263498

SCHEMBL263498

COc1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK1 P49759 1/20 0.40
RAB9A P51151 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37

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
SCHEMBL30289783 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2370514 0.87 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5158453 0.85 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL19617390 0.83 MAPT (0.40) ALDH1A1MAPTRAB9AHTR2AHTR2C
SCHEMBL29493379 0.83 MAPT (0.40) ALDH1A1MAPTRAB9AHTR2AHTR2C
SCHEMBL31193435 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL263354 0.82 L3MBTL1 (0.43) ALDH1A1MEN1MAPTKMT2ARAB9A
SCHEMBL13785412 0.81 PDE2A (0.47) CA12CA1CA2CA7CA9
SCHEMBL16952355 0.81 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL15209708 0.80 CA12 (0.42) CA12CA1CA9ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12465578-B2 Substituted alpha-ethyl phenylalkylamines ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2025-11-11 US disclosed
US-20240408038-A1 SUBSTITUTED PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. 2024-12-12 US disclosed
EP-3911413-B1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-12-06 EP disclosed
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-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-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
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
US-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-07-07 US disclosed
US-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-07-07 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
EP-2183241-A2 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS Pfizer Limited (GB) 2010-05-12 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 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 (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-12465578-B2 Substituted alpha-ethyl phenylalkylamines PNMT, SLC18A2, SLC1A2 CA12 4862/4885CA1 4571/4885CA2 4027/4885
US-20240408038-A1 SUBSTITUTED PHENYLALKYLAMINES PNMT, HTR2A, SLC18A2 CA12 4845/4885CA1 4605/4885CA2 3871/4885
US-20090048306-A1 PYRIDINE DERIVATIVES SDHA, P2RX4, P2RX3 CA12 4112/4885CA1 3204/4885CA2 1236/4885
US-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP26B1, CYP7A1 CA12 1957/4885CA1 4202/4885CA2 4510/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR CA12 1061/4885CA1 4475/4885CA2 3327/4885
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 CA12 4527/4885CA1 4706/4885CA2 4847/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 CA12 4527/4885CA1 4706/4885CA2 4847/4885

“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.