SCHEMBL2553738

SCHEMBL2553738

CCCN(CC=O)CCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 2/20 0.32
ADH1A P07327 2/20 0.32
ADH1C P00326 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1461495 0.88 ALDH1A1 (0.38) CA12CA2CA9ADH1AADH1C
SCHEMBL3513093 0.88 MAPT (0.36) MAPTKDM4EALOX15SMN1; SMN2
SCHEMBL29955232 0.87 CA12 (0.38) CA12CA9HSD17B10ADH1AADH1C
SCHEMBL12464630 0.84
SCHEMBL10088374 0.83 ALDH1A1 (0.38) CA12CA2CA9ADH1AADH1C
SCHEMBL2562982 0.80 ALDH1A1 (0.40) CYP1A2CYP2C9CA12CA2CA9
SCHEMBL25936321 0.79 TSHR (0.40) CA12CA2CA9NPSR1ADH1A
SCHEMBL3942257 0.78
SCHEMBL21861532 0.78 ALDH1A1 (0.41) HSD17B10TSHRALDH1A1ALOX15
SCHEMBL14493184 0.77 OPRM1 (0.33) CYP1A2CYP2C9CYP2D6CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20210107887-A1 RADICAL POLYMERIZATION INITIATOR, COMPOSITION CONTAINING SAME, CURED PRODUCT OF COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT, AND COMPOUND ADEKA CORPORATION (JP) 2021-04-15 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO 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-20210107887-A1 RADICAL POLYMERIZATION INITIATOR, COMPOSITION CONTAINING SAME, CURED PRODUCT OF COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT, AND COMPOUND RRP12, ASH2L, RER1 CYP1A2 730/4885CYP2C9 2756/4885CA12 582/4885

“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.