SCHEMBL12285609

SCHEMBL12285609

C=CC(=O)OCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TP53 P04637 2/20 0.53
HIF1A Q16665 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
THRB P10828 1/20 0.49
GLA P06280 1/20 0.48
BRCA1 P38398 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPT P10636 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
SCHEMBL2033572 0.91 MEN1 (0.66) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL29409695 0.91 MEN1 (0.66) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL10261684 0.89 HEXA (0.51) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL29239556 0.87 MEN1 (0.61) MEN1KMT2ATSHRALDH1A1HSD17B10
Acrylic Acid SCHEMBL28997944 0.87 MEN1 (0.65) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL9838180 0.86 MEN1 (0.56) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL17158253 0.84 ALDH1A1 (0.55) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL16865687 0.84 ALDH1A1 (0.47) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL10262183 0.83 ALDH1A1 (0.50) MEN1KMT2ATSHRALDH1A1TP53
SCHEMBL10262179 0.83 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LMNAPOLB

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-8025901-B2 Bifunctional-modified hydrogels WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-09-27 US disclosed
US-20100209509-A1 BIFUNCTIONAL-MODIFIED HYDROGELS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-08-19 US disclosed
US-7615593-B2 Comprises interpenetrating polymer network/matrix (of collagen and/or gelatin) modified with endcapped polyalkylene glycol; drug delivery; for incorporation into bandages, surgical and dental wound packing material, diapers and catamenial devices WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-11-10 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-20100209509-A1 BIFUNCTIONAL-MODIFIED HYDROGELS PCNA, CDC25B, ALG1 MEN1 3207/4885KMT2A 1670/4885TSHR 3688/4885

“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.