SCHEMBL21769480

SCHEMBL21769480

O=C(c1cc(F)ccc1OCCCN1CCOCC1)N1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
KDM4E B2RXH2 5/20 0.47
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 3/20 0.44
ABCB1 P08183 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL21769540 0.96 KDM4E (0.51) USP2KDM4EPOLBL3MBTL1MAPT
SCHEMBL21769242 0.93 USP2 (0.52) USP2KDM4EPOLBL3MBTL1EPHX2
SCHEMBL21769399 0.91 USP2 (0.57) USP2KDM4EPOLBL3MBTL1ABCB1
SCHEMBL21769472 0.90 NPSR1 (0.48) USP2KDM4EPOLBMAPTMAPK1
SCHEMBL21769478 0.89 KDM4E (0.51) USP2KDM4EPOLBL3MBTL1MAPT
SCHEMBL21750490 0.86 KDM4E (0.56) USP2KDM4EPOLBL3MBTL1ABCB1
SCHEMBL21769534 0.83 NPSR1 (0.48) USP2KDM4EPOLBMAPTMAPK1
SCHEMBL21769539 0.83 KDM4E (0.52) KDM4EPOLBMAPTMAPK1NPSR1
SCHEMBL21769525 0.83 USP2 (0.50) USP2KDM4EPOLBL3MBTL1ABCB1
SCHEMBL21769401 0.81 ALDH1A1 (0.53) USP2KDM4EPOLBL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
US-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 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 (2 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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 USP2 4760/4885KDM4E 3638/4885POLB 2907/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 USP2 4760/4885KDM4E 3638/4885POLB 2907/4885

“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.