SCHEMBL2113122

SCHEMBL2113122

C=CC(=O)Oc1ccc2ccccc2c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
TYMS P04818 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
NCEH1 Q6PIU2 10/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
VCP P55072 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL29599555 0.84 TYMS (0.40) TYMSNCEH1THRATHRBMAPT
SCHEMBL7912820 0.82 NCEH1 (0.47) CYP1A2CYP2C19SLC22A12NCEH1SMN1; SMN2
SCHEMBL3917320 0.82 CYP1A2 (0.44) CYP1A2CYP2C19SLC22A12NCEH1SMN1; SMN2
SCHEMBL13185861 0.80 MAPT (0.50) TYMSNCEH1SMN1; SMN2THRATHRB
SCHEMBL28017827 0.78 TYMS (0.46) TYMSNCEH1SMN1; SMN2THRATHRB
SCHEMBL68437 0.78 ALDH1A1 (0.56) TYMSTHRATHRBMAPTKDM4E
SCHEMBL29374139 0.78 ALDH1A1 (0.56) TYMSTHRATHRBMAPTKDM4E
SCHEMBL10720203 0.77 TYMS (0.56) TYMSNCEH1SMN1; SMN2THRATHRB
SCHEMBL31323065 0.77 TYMS (0.45) CYP1A2TYMSCYP2C19NCEH1SMN1; SMN2
SCHEMBL28357797 0.76 ALDH1A1 (0.54) TYMSTHRATHRBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8158678-B2 Photoabsorbing, highly conjugated compounds of cyanoacrylic esters, sunscreen compositions and methods of use CPH INNOVATIONS CORP. 2012-04-17 US disclosed
WO-2006110301-A3 PHOTOABSORBING, HIGHLY CONJUGATED COMPOUNDS OF CYANOACRYLIC ESTERS, SUNSCREEN COMPOSITIONS AND METHODS OF USE CPH INNOVATIONS CORP (US) 2007-02-01 WO 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
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
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 CYP1A2 483/4885TYMS 2635/4885CYP2C19 379/4885

“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.