SCHEMBL1725233

SCHEMBL1725233

CC(C)(C)c1cc(F)cc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
POLB P06746 1/20 0.34
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
NOTUM Q6P988 1/20 0.32
HTR1D P28221 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL30472433 1.00 GABRA1 (0.37) GABRA1GABRB2POLBCTSDBACE1
SCHEMBL31749284 0.84 NOTUM (0.34) CHRNB4CHRNA3NOTUM
SCHEMBL5779081 0.84 NOTUM (0.34) CHRNB4CHRNA3NOTUM
SCHEMBL30697388 0.83 CHRNB4 (0.39) GABRA1GABRB2POLBCHRNB4CHRNA3
SCHEMBL27018947 0.83 CHRNB4 (0.39) GABRA1GABRB2POLBCHRNB4CHRNA3
SCHEMBL26709197 0.82 VEGFA (0.35) ALDH1A1MAPT
SCHEMBL31075912 0.82 NOTUM (0.33) HIF1ACHRNB4CHRNA3NOTUMALDH1A1
SCHEMBL190968 0.82 GABRA1 (0.52) GABRA1GABRB2POLBCYP1A2CYP2D6
SCHEMBL846677 0.82 GABRA1 (0.46) GABRA1GABRB2POLBCYP1A2CYP2D6
SCHEMBL179354 0.82 GABRA1 (0.46) GABRA1GABRB2POLBCYP2C19HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648762-A2 PPARG MODULATORS University of Florida Research Foundation, Incorporated (US) 2025-11-19 EP disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
CN-118344392-A Light-emitting element and condensed polycyclic compound for use in the same 三星显示有限公司 2024-07-16 CN disclosed
CN-118146242-A Light-emitting element and polycyclic compound used for the same 三星显示有限公司 2024-06-07 CN disclosed
US-20240023439-A1 LIGHT EMITTING DEVICE AND POLYCYCLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-20240023439-A1 LIGHT EMITTING DEVICE AND POLYCYCLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230219981-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
CN-101835771-A Aminobenzyl-substituted cyclic sulfones useful as bace inhibitors NOVARTIS AG 2010-09-15 CN disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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 (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-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B GABRA1 4178/4885GABRB2 3396/4885POLB 2508/4885
US-20240023439-A1 LIGHT EMITTING DEVICE AND POLYCYCLIC COMPOUND FOR THE SAME LAGE3, TMEM109, ESR1 GABRA1 2274/4885GABRB2 2988/4885POLB 4350/4885
US-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 GABRA1 636/4885GABRB2 940/4885POLB 2900/4885
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP GABRA1 413/4885GABRB2 135/4885POLB 591/4885
US-20230219981-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR THE SAME ELP1, NFE2L2, LEF1 GABRA1 1848/4885GABRB2 2574/4885POLB 2742/4885
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN GABRA1 2265/4885GABRB2 2888/4885POLB 2572/4885

“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.