SCHEMBL2378863

SCHEMBL2378863

COPc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ACHE P22303 2/20 0.43
ALDH1A1 P00352 5/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 2/20 0.32
CA4 P22748 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GLA P06280 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4454265 0.81 TRPA1 (0.39) TSHRACHEALDH1A1CA1CA2
SCHEMBL29003914 0.75 TSHR (0.38) TSHRACHEALDH1A1CA1CA2
SCHEMBL146928 0.73 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL31457202 0.70 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL5645150 0.70 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL541709 0.70 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL31542045 0.70
SCHEMBL1304780 0.70 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL29083664 0.70 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL14373242 0.70

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US disclosed
US-9035088-B2 Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-05-19 US disclosed
US-8604108-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-10 US disclosed
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-13 US disclosed
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-29 US disclosed
US-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 US disclosed
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
US-20110213059-A1 Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 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 (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-20110213062-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkyphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, HACL2, ACSL3 TSHR 1746/4885ACHE 2620/4885ALDH1A1 1532/4885
US-20110213059-A1 Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof ACSL3, ACSL1, ACSL6 TSHR 909/4885ACHE 2909/4885ALDH1A1 2517/4885
US-20110224339-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Acroleins and Use Thereof HAO2, AOC3, AOC2 TSHR 965/4885ACHE 2952/4885ALDH1A1 517/4885
US-20110213078-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof AOC2, AOC3, DAO TSHR 577/4885ACHE 3057/4885ALDH1A1 880/4885
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof LPAR6, LPAR2, HAO2 TSHR 83/4885ACHE 3500/4885ALDH1A1 3503/4885
US-20110237720-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Vinyl Compounds and Use Thereof ACSL3, ACSL6, ACSL1 TSHR 2065/4885ACHE 2658/4885ALDH1A1 1801/4885
US-20110213061-A1 Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof HAO2, ACSL1, ACSL3 TSHR 752/4885ACHE 2856/4885ALDH1A1 2642/4885

“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.