SCHEMBL2322044

SCHEMBL2322044

CCCP(=O)(O)/C=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
NR1I2 O75469 1/20 0.40
PAM P19021 1/20 0.39
HDAC3 O15379 2/20 0.39
EGFR P00533 1/20 0.39
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL2322046 1.00 GLA (0.44) GLATDP1L3MBTL1NPC1NR1I2
SCHEMBL2321257 0.90 TSHR (0.44) GLATDP1L3MBTL1NPC1NR1I2
SCHEMBL2321252 0.90 TSHR (0.44) GLATDP1L3MBTL1NPC1NR1I2
SCHEMBL31590259 0.88 CETP (0.49) GLATDP1HDAC3EGFRLMNA
SCHEMBL31590330 0.87 CETP (0.51) TDP1HDAC3EGFRLMNACETP
SCHEMBL31590635 0.87 CETP (0.51) TDP1HDAC3EGFRLMNACETP
SCHEMBL31590695 0.87 CETP (0.51) TDP1HDAC3EGFRLMNACETP
SCHEMBL2321543 0.85 GLA (0.47) GLATDP1L3MBTL1NPC1NR1I2
SCHEMBL2321546 0.85 GLA (0.47) GLATDP1L3MBTL1NPC1NR1I2
SCHEMBL2318415 0.81 TSHR (0.51) CYP2D6RECQLCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 US disclosed
EP-2352739-A2 METHOD FOR PRODUCING MONO-VINYLFUNCTIONALIZED DIALKYLPHOSPHINIC ACID, SALTS AND ESTERS THEREOF, AND THE USE THEREOF Clariant Finance (BVI) Limited (VG) 2011-08-10 EP disclosed
WO-2010051890-A2 METHOD FOR PRODUCING MONO-VINYLFUNCTIONALIZED DIALKYLPHOSPHINIC ACID, SALTS AND ESTERS THEREOF, AND THE USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO 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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof ACSL1, ACSL3, HACL2 GLA 212/4885TDP1 4708/4885L3MBTL1 3259/4885

“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.