SCHEMBL20005688

SCHEMBL20005688

Cc1ccc(OCCCOc2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.73
DRD2 P14416 8/20 0.73
DRD3 P35462 8/20 0.73
NPC1 O15118 1/20 0.57
KCNH2 Q12809 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KCNA5 P22460 1/20 0.49
ALDH3A1 P30838 1/20 0.49
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL5288157 0.93 DRD2 (0.70) DRD4DRD2DRD3NPC1KCNH2
SCHEMBL5929468 0.89 DRD2 (0.68) DRD4DRD2DRD3KCNH2L3MBTL1
SCHEMBL9770319 0.89 DRD4 (0.59) DRD4DRD2DRD3NPC1KCNH2
SCHEMBL22894182 0.87 DRD2 (0.63) DRD4DRD2DRD3NPC1KCNH2
SCHEMBL14586644 0.84 DRD2 (0.60) DRD4DRD2DRD3NPC1KCNH2
Hydrochloric Acid SCHEMBL8055016 0.84 DRD4 (0.97) DRD4DRD2DRD3NPC1
SCHEMBL9770302 0.84 ALDH3A1 (0.62) DRD4DRD2DRD3NPC1KCNH2
SCHEMBL3805304 0.84 DRD2 (0.68) DRD4DRD2DRD3KCNH2L3MBTL1
SCHEMBL15220294 0.83 DRD2 (0.58) DRD4DRD2DRD3NPC1KCNH2
SCHEMBL10345746 0.82 ALDH1A1 (0.59) DRD4DRD2DRD3NPC1KCNH2

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 DRD4 4764/4885DRD2 4804/4885DRD3 4789/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 DRD4 4764/4885DRD2 4804/4885DRD3 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.