SCHEMBL292047

SCHEMBL292047

CC(C)(C)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KIF11 P52732 1/20 0.38
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
HSD11B1 P28845 1/20 0.35
MAPK1 P28482 1/20 0.35
PLCG1 P19174 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL30503531 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2CA1
Phosphine SCHEMBL15251933 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2CA1
Methyl Alcohol SCHEMBL6773345 0.95 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2CA1
Formaldehyde SCHEMBL27583784 0.93 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2CA1
SCHEMBL27635856 0.87 CA2 (0.40) ALDH1A1TDP1TSHRCA2CA1
Diphenylsulfane SCHEMBL15063363 0.85 ALDH1A1 (0.39) ALDH1A1TDP1TSHRCA2CA1
SCHEMBL9275642 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2CA1
SCHEMBL28655742 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2CA1
SCHEMBL5080120 0.83 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2CA1
SCHEMBL16425077 0.82 PDK1 (0.38) ALDH1A1TDP1TSHRCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772039-B Self-contained microporous polymer and preparation method and application thereof 大连理工大学盘锦产业技术研究院 2025-01-24 CN claimed
CN-118772039-A Self-contained microporous polymer and preparation method and application thereof 大连理工大学盘锦产业技术研究院 2024-10-15 CN claimed
EP-3327055-B1 POLYMER BLEND FOR SEALS FREUDENBERG CARL KG (DE) 2021-09-15 EP claimed
EP-3327055-A1 POLYMER BLEND FOR SEALS Carl Freudenberg KG (DE) 2018-05-30 EP claimed
US-20050090596-A1 Organic composition HONEYWELL INTERNATIONAL INC. 2005-04-28 US claimed
EP-1463770-A1 ORGANIC COMPOSITION Honeywell International Inc. (US) 2004-10-06 EP claimed
WO-2003057755-A1 ORGANIC COMPOSITION HONEYWELL INTERNATIONAL INC. (US) 2003-07-17 WO claimed
US-20260022131-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2026-01-22 US disclosed
US-12473302-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-11-18 US disclosed
WO-2025087375-A1 NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE AGONIST AND USE THEREOF 南京瑞初医药有限公司 2025-05-01 WO disclosed
CN-118772039-B Self-contained microporous polymer and preparation method and application thereof 大连理工大学盘锦产业技术研究院 2025-01-24 CN disclosed
US-20250002469-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME P&H TECH CO., LTD (KR) 2025-01-02 US disclosed
CN-118772039-A Self-contained microporous polymer and preparation method and application thereof 大连理工大学盘锦产业技术研究院 2024-10-15 CN disclosed
US-5859047-A ANTIARTHRITIC AGENTS, NERVOUS SYSTEM DISORDERS BAYER CORPORATION (US) 1999-01-12 US disclosed
US-5854277-A Thiophenebutanoic acid derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 1998-12-29 US disclosed
EP-0488861-A1 Process for the preparation of alkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1992-06-03 EP disclosed
EP-0455545-A1 Process for the preparation of mono- or polyalkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-11-06 EP disclosed
EP-0434516-A2 Process for the preparation of mono- or poly-alkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-06-26 EP disclosed
EP-0434517-A2 Process for the preparation of mono- or poly-alkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-06-26 EP disclosed
US-4723028-A DIAGNOSIS OF LEUKEMIA SHUDO KOICHI (JP) 1988-02-02 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 (3 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-12473302-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, DRD3 ALDH1A1 2681/4885TDP1 3235/4885TSHR 74/4885
US-20250002469-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, TRPA1, OR51E2 ALDH1A1 300/4885TDP1 3385/4885TSHR 4743/4885
US-20260022131-A1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE CLN6, NR2E3, CBR3 ALDH1A1 1304/4885TDP1 1762/4885TSHR 103/4885

“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.