SCHEMBL20006089

SCHEMBL20006089

Cc1cccc(OCCCOc2cccc(C)c2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.53
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.52
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL5288807 0.95 HTR1B (0.54) HTR1BMAPTKDM4EGAAPPARG
SCHEMBL12110823 0.83 ALDH1A1 (0.58) MAPTKDM4EGAADRD2DRD4
SCHEMBL20005627 0.82 DRD2 (0.55) MAPTKDM4EPPARGPPARDPPARA
SCHEMBL11674802 0.80 DRD2 (0.66) KDM4EDRD2DRD4DRD3LMNA
SCHEMBL3763288 0.80 HTR1B (0.59) HTR1BMAPTKDM4EGAAPPARG
SCHEMBL20005689 0.79 DRD2 (0.60) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL10798638 0.79 DRD2 (0.64) KDM4EDRD2DRD4DRD3LMNA
SCHEMBL5929458 0.78 HTR1B (0.71) HTR1BMAPTKDM4EGAAPPARG
SCHEMBL29381067 0.78 DRD2 (0.62) KDM4EDRD2DRD4DRD3LMNA
SCHEMBL27465 0.78 DRD2 (0.62) KDM4EDRD2DRD4DRD3LMNA

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 HTR1B 4610/4885MAPT 3938/4885KDM4E 422/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 HTR1B 4610/4885MAPT 3938/4885KDM4E 422/4885

“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.