SCHEMBL5808451

SCHEMBL5808451

N#CC=CC(=O)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
PGR P06401 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 1/20 0.43
FABP7 O15540 3/20 0.43
FABP3 P05413 3/20 0.43
FABP5 Q01469 3/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL5809348 0.90 ESR1 (0.41) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL11040570 0.87 HSD17B10 (0.59) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL10707682 0.87 HSD17B10 (0.59) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL2834574 0.87 HSD17B10 (0.59) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL1338968 0.81 HSD17B10 (0.57) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL4168618 0.81 HSD17B10 (0.53) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL1338970 0.81 HSD17B10 (0.57) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL4168622 0.81 HSD17B10 (0.53) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL4949311 0.78 ALDH1A1 (0.57) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL1157727 0.78 ESR1 (0.74) HSD17B10ALDH1A1GAAPGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874459-A Flexible photocurable cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-12-31 CN disclosed
CN-105246872-A Cyanoacrylate compositions Henkel US IP LLC 2016-01-13 CN 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 HSD17B10 872/4885ALDH1A1 51/4885GAA 178/4885

“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.