SCHEMBL2111830

SCHEMBL2111830

C=CC(=O)Oc1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.55
PPARA Q07869 10/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
PPARD Q03181 1/20 0.55
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP1A2 P05177 1/20 0.47
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
TYMS P04818 1/20 0.43
PDE6D O43924 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL238332 0.84 PPARG (0.60) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL29672358 0.84 PPARG (0.60) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL238321 0.83 PPARG (0.58) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL17942333 0.83 PPARG (0.62) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL30356799 0.83 PPARG (0.62) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL246024 0.81 PPARG (0.61) PPARGPPARACYP2C9CYP2C19PPARD
Hydrogen Sulfide SCHEMBL27808065 0.81 THRB (0.46) PPARGPPARAPDE6DTHRB
SCHEMBL16436314 0.80 TYMS (0.42) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL2111828 0.80 TYMS (0.50) CYP2C9CYP2C19HDAC8HDAC6CYP1A2
Bicarbonate SCHEMBL28016107 0.80 PPARG (0.59) PPARGPPARACYP2C9CYP2C19PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112005392-B Organic light emitting device 株式会社LG化学 2023-09-29 CN disclosed
US-8158678-B2 Photoabsorbing, highly conjugated compounds of cyanoacrylic esters, sunscreen compositions and methods of use CPH INNOVATIONS CORP. 2012-04-17 US disclosed
US-20070238026-A1 Holographic recording composition, optical recording medium and optical recording method FUJIFILM CORPORATION (JP) 2007-10-11 US disclosed
WO-2006110301-A2 PHOTOABSORBING, HIGHLY CONJUGATED COMPOUNDS OF CYANOACRYLIC ESTERS, SUNSCREEN COMPOSITIONS AND METHODS OF USE CPH INNOVATIONS CORP. (US) 2006-10-19 WO disclosed
US-20060228311-A1 Photoabsorbing, highly conjugated compounds of cyanoacrylic esters, sunscreen compositions and methods of use BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2006-10-12 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-20060228311-A1 Photoabsorbing, highly conjugated compounds of cyanoacrylic esters, sunscreen compositions and methods of use XPA, ERCC4, UNG PPARG 3361/4885PPARA 2759/4885CYP2C9 181/4885

“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.