SCHEMBL2171435

SCHEMBL2171435

CC(C)P(O)(O)(c1ccccc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ADRA2C P18825 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ADRA2A P08913 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
AHR P35869 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA1A P35348 1/20 0.32
TRPA1 O75762 1/20 0.32
RGS12 O14924 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 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
SCHEMBL22472085 0.79 TRPA1 (0.37) ADRA2CLMNAKDM4EADRA2AHIF1A
SCHEMBL1726307 0.79 ADRA2C (0.34) GABRA1GABRB2ADRA2CLMNAKDM4E
SCHEMBL3815765 0.75 LMNA (0.35) ADRA2CLMNAKDM4EADRA2AHIF1A
SCHEMBL2201695 0.72 TDP1 (0.36) ADRA2CLMNAKDM4EADRA2AHIF1A
SCHEMBL3835921 0.72 TDP1 (0.36) ADRA2CLMNAKDM4EADRA2AHIF1A
Iodide SCHEMBL2874210 0.70 TDP1 (0.35) ADRA2CLMNAKDM4EADRA2AHIF1A
SCHEMBL14873070 0.69 TSHR (0.35) LMNATSHRALDH1A1TDP1GLA
SCHEMBL12148280 0.69 TSHR (0.35) LMNATSHRALDH1A1TDP1GLA
SCHEMBL1726809 0.69 TSHR (0.35) LMNATSHRALDH1A1TDP1GLA
SCHEMBL99642 0.69 TSHR (0.35) LMNAKDM4ETSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379572-B1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INT LTD (CH) 2015-12-23 EP disclosed
EP-2373666-B1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2014-09-24 EP disclosed
EP-2367834-B1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACROLEINS AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP disclosed
EP-2379572-A1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP disclosed
EP-2352737-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYL COMPOUNDS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2352736-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2352738-A1 METHOD FOR PRODUCING MONO-CARBOXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYLENES/NITRILES AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP disclosed
EP-2346886-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-07-27 EP disclosed
WO-2010069420-A1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 WO disclosed
WO-2010051888-A1 METHOD FOR PRODUCING MONO-CARBOXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYLENES/NITRILES AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051887-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYL COMPOUNDS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051889-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
WO-2010051886-A1 METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO disclosed
US-20050143597-A1 Process for producing carbonyl compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2005-06-30 US disclosed
CN-1555387-A Polymer composition for manufacturing optical waveguide, optical waveguide manufactured thereby, and method for manufacturing the waveguide 古德里奇公司 2004-12-15 CN disclosed
US-4130590-A FROM CONJUGATED DIENES AND AMMONIA OR AN AMINE, PALLADIUM COMPOUND-PHOSPHONITE CATALYST MONSANTO COMPANY (US) 1978-12-19 US disclosed
US-4100194-A REACTIONNOF CONJUGATED DIENES WITH AMMONIA AND AMINES IN HYDROXYLIC SOLVENT MONSANTO COMPANY (US) 1978-07-11 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 (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-20050143597-A1 Process for producing carbonyl compound MCCC2, CBR3, COASY GABRA1 3492/4885GABRB2 3851/4885ADRA2C 4336/4885

“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.