SCHEMBL21750484

SCHEMBL21750484

CC1CC(C)CN(CCOc2ccccc2C(=O)O)C1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
KDM4E B2RXH2 7/20 0.70
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
LMNA P02545 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.55
PTK2B Q14289 1/20 0.52
POLB P06746 2/20 0.52
HTT P42858 1/20 0.52
BLM P54132 1/20 0.52
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD3 P35462 1/20 0.51
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL21750478 0.87 KDM4E (0.67) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL21750486 0.84 KDM4E (0.70) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL21769470 0.80 KDM4E (0.57) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL8658459 0.79 KDM4E (0.56) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL11365759 0.78 DRD2 (0.75) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL8401002 0.78 DRD2 (0.75) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL8665681 0.77 DRD2 (0.73) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL21750488 0.77 HRH2 (0.51) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL21750487 0.77 HRH2 (0.51) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL21750489 0.77 HRH2 (0.51) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2

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
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof PURDUE RESEARCH FOUNDATION (US) 2021-06-01 US disclosed
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
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 ALDH1A1 1721/4885KDM4E 3638/4885KMT2A 4291/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 ALDH1A1 1721/4885KDM4E 3638/4885KMT2A 4291/4885

“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.