SCHEMBL1706355

SCHEMBL1706355

FCC(F)(F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PTPN1 P18031 1/20 0.41
DAO P14920 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
KCNN4 O15554 4/20 0.39
KIF11 P52732 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
CNR1 P21554 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33

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
SCHEMBL7670356 0.85 TAAR1 (0.33) TSHRALDH1A1PTPN1KIF11TAAR1
SCHEMBL16933884 0.78 TSHR (0.52) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL507483 0.76 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL2653057 0.76 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL28758503 0.76 TSHR (0.57) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL10415351 0.76 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL506977 0.76 TAAR1 (0.52) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL2281974 0.76 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL6988143 0.76 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1
SCHEMBL13440 0.76 TSHR (0.50) TSHRALDH1A1PTPN1DAOCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114583088-A Quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2022-06-03 CN claimed
WO-2022111583-A1 QUANTUM DOT LIGHT-EMITTING DIODE AND PREPARATION METHOD THEREFOR TCL科技集团股份有限公司 2022-06-02 WO claimed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
CN-117024366-B Preparation method of dihydropyrazole compound containing quaternary carbon center 安徽中医药大学 2025-05-02 CN disclosed
WO-2024237014-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY 株式会社日本触媒 2024-11-21 WO disclosed
WO-2024101336-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 国立大学法人京都大学 2024-05-16 WO disclosed
CN-117897416-A Copolymer and resin composition 大金工业株式会社 2024-04-16 CN disclosed
CN-114805238-A Preparation process of aprepitant intermediate 苏州诚和医药化学有限公司 2022-07-29 CN disclosed
CN-114583088-A Quantum dot light-emitting diode and preparation method thereof TCL科技集团股份有限公司 2022-06-03 CN disclosed
US-5410084-A Diamine having perfluoro group; colorless, transparent, heat resistant,low dielectric constant MITSUI TOATSU CHEMICALS, INC. (JP) 1995-04-25 US disclosed
US-5354839-A Low dielectric constant, colorless, transparent and excellent in processability and heat resistance MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-10-11 US disclosed
EP-0565352-A2 Aromatic diamine and polyimde, and preparation process of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-10-13 EP disclosed
EP-0537318-A1 NEW NON-HYGROSCOPIC MONO-AMMONIUM SALTS. ALKALOIDA VEGYESZETI GYAR (HU) 1993-04-21 EP disclosed
WO-1992018513-A1 NEW NON-HYGROSCOPIC MONO-AMMONIUM SALTS ALKALOIDA VEGYÉSZETI GYÁR RT. (HU) 1992-10-29 WO disclosed
EP-0206951-A2 Process for the perfluoroalkylation of aromatic derivatives RHONE-POULENC CHIMIE (FR) 1986-12-30 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 (1 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 TSHR 4008/4885ALDH1A1 739/4885PTPN1 4306/4885

“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.