SCHEMBL20005627

SCHEMBL20005627

Cc1cccc(OCCCOc2ccc(C)cc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 1/20 0.55
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PPARD Q03181 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PPARA Q07869 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PPARG P37231 1/20 0.49
MAPT P10636 3/20 0.49

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
SCHEMBL5283280 0.95 KMT2A (0.57) DRD2DRD4DRD3KMT2ANPC1
SCHEMBL5286863 0.83 L3MBTL1 (0.55) DRD2DRD4DRD3KMT2ANPC1
SCHEMBL20005835 0.83 L3MBTL1 (0.52) DRD2DRD4KMT2ANPC1RAB9A
SCHEMBL20231185 0.82 DRD2 (0.76) DRD2DRD4DRD3KMT2ARAB9A
SCHEMBL20006089 0.82 HTR1B (0.53) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL9011867 0.82 SMN1; SMN2 (0.59) KMT2ANPC1RAB9AATML3MBTL1
SCHEMBL11674802 0.82 DRD2 (0.66) DRD2DRD4DRD3KMT2ARAB9A
SCHEMBL12110823 0.81 ALDH1A1 (0.58) DRD2DRD4DRD3KMT2ANPC1
SCHEMBL20006086 0.81 L3MBTL1 (0.56) DRD2DRD4DRD3KMT2ANPC1
SCHEMBL20005689 0.80 DRD2 (0.60) DRD2DRD4DRD3KMT2ARAB9A

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.