SCHEMBL20005689

SCHEMBL20005689

Cc1cccc(OCCCOc2cc(C)cc(C)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
DRD4 P21917 2/20 0.60
DRD3 P35462 1/20 0.58
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ACHE P22303 1/20 0.52
F2 P00734 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 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
SCHEMBL11674802 0.90 DRD2 (0.66) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL10798638 0.88 DRD2 (0.64) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL29381067 0.87 DRD2 (0.62) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL27465 0.87 DRD2 (0.62) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL5987233 0.86 DRD2 (0.58) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL20231185 0.86 DRD2 (0.76) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL7323942 0.84 DRD2 (0.60) DRD2DRD4DRD3KDM4EL3MBTL1
SCHEMBL3894255 0.84 DRD2 (0.63) DRD2DRD4DRD3KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL30436097 0.83 DRD2 (0.55) DRD2DRD4DRD3KDM4EL3MBTL1
Bromide SCHEMBL30436405 0.83 DRD2 (0.55) DRD2DRD4DRD3KDM4EL3MBTL1

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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 DRD2 4804/4885DRD4 4764/4885DRD3 4789/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 DRD2 4804/4885DRD4 4764/4885DRD3 4789/4885

“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.