SCHEMBL2111828

SCHEMBL2111828

C=CC(=O)Oc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.50
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL68437 0.87 ALDH1A1 (0.56) TYMSALDH1A1HSD17B10GAAPGR
SCHEMBL29374139 0.87 ALDH1A1 (0.56) TYMSALDH1A1HSD17B10GAAPGR
SCHEMBL30007447 0.87 THRB (0.51) TYMSALDH1A1HSD17B10MAPK1THRA
SCHEMBL10871851 0.87 THRB (0.51) TYMSALDH1A1HSD17B10MAPK1THRA
SCHEMBL28357797 0.85 ALDH1A1 (0.54) TYMSALDH1A1HSD17B10GAAPGR
Acrylic Acid SCHEMBL31541850 0.83 ALDH1A1 (0.51) TYMSALDH1A1HSD17B10GAAPGR
SCHEMBL29733303 0.83 TYMS (0.48) TYMSALDH1A1HSD17B10GAAPGR
SCHEMBL29617395 0.83 TYMS (0.48) TYMSALDH1A1HSD17B10GAAPGR
SCHEMBL69482 0.83 TYMS (0.48) TYMSALDH1A1HSD17B10GAAPGR
SCHEMBL2291363 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10GAAPGRPTGS1

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-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-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 TYMS 2635/4885ALDH1A1 51/4885HSD17B10 872/4885

“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.