SCHEMBL21750486

SCHEMBL21750486

CC1CCN(CCOc2ccccc2C(=O)O)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
ALDH1A1 P00352 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
MAPK1 P28482 1/20 0.60
HRH2 P25021 4/20 0.58
DRD2 P14416 1/20 0.57
DRD1 P21728 1/20 0.57
DRD3 P35462 1/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL21750481 0.87 KMT2A (0.70) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21750484 0.84 ALDH1A1 (0.70) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8401002 0.83 DRD2 (0.75) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11365759 0.83 DRD2 (0.75) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL8665681 0.82 DRD2 (0.73) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21750489 0.82 HRH2 (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21750488 0.82 HRH2 (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21750487 0.82 HRH2 (0.51) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6042786 0.82 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1HRH2
SCHEMBL6042440 0.81 POLB (0.68) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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 KDM4E 3638/4885ALDH1A1 1721/4885SMN1; SMN2 2355/4885
US-11022604-B2 Dock derived compound against laminin receptor (37 LR) and uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885ALDH1A1 1721/4885SMN1; SMN2 2355/4885

“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.