SCHEMBL20005776

SCHEMBL20005776

Cc1ccc(SCCOc2ccccc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
GAA P10253 2/20 0.55
AR P10275 1/20 0.52
HPGD P15428 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.51
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 3/20 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
SCHEMBL12301165 0.89 L3MBTL1 (0.57) MAPTL3MBTL1GAAARHPGD
SCHEMBL5824932 0.87 KMT2A (0.52) MAPTL3MBTL1GAAARHPGD
SCHEMBL9768856 0.85 L3MBTL1 (0.51) MAPTL3MBTL1GAAARHPGD
SCHEMBL10345456 0.81 HTR7 (0.53) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL10345739 0.81 POLB (0.62) MAPTHPGDNPC1RAB9AKMT2A
SCHEMBL9808032 0.79 DRD2 (0.69) MAPTL3MBTL1GAAARHPGD
SCHEMBL15062005 0.78 LMNA (0.57) MAPTL3MBTL1GAAARHPGD
SCHEMBL1592876 0.77 TDP1 (0.60) MAPTL3MBTL1HPGDNPC1RAB9A
P-Xylene SCHEMBL817546 0.77 DRD2 (0.55) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL3763522 0.77 DRD2 (0.73) MAPTL3MBTL1HPGDNPC1RAB9A

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 MAPT 3938/4885L3MBTL1 805/4885GAA 3491/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MAPT 3938/4885L3MBTL1 805/4885GAA 3491/4885

“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.