SCHEMBL21769232

SCHEMBL21769232

CN(C)CCCOc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDR P35968 1/20 0.40
CACNA1G O43497 1/20 0.40
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 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
SCHEMBL21769481 0.95 THRA (0.42) THRATHRBKDM4EMAPTMAPK1
SCHEMBL21769254 0.92 THRA (0.39) THRATHRBKDM4EKDRHSP90B1
SCHEMBL21769251 0.87 FNTA (0.40) THRATHRBKDR
SCHEMBL21769538 0.84 CACNA1B (0.53)
SCHEMBL21769475 0.84 THRA (0.42) THRATHRBKDM4EMAPTNPSR1
SCHEMBL21769537 0.84 MGLL (0.48) KDM4EHSP90B1TRAP1
SCHEMBL21769244 0.83 NPSR1 (0.48) KDM4EMAPTMAPK1NPSR1CACNA1G
SCHEMBL21769398 0.82 KDM4E (0.46) KDM4ENPSR1CACNA1G
SCHEMBL21769237 0.82 CCNK (0.44) KDM4EMAPTNPSR1
SCHEMBL21769236 0.81 HSP90B1 (0.44) MAPTMAPK1NPSR1CACNA1GHSP90B1

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 THRA 893/4885THRB 972/4885KDM4E 3638/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 THRA 893/4885THRB 972/4885KDM4E 3638/4885

“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.