SCHEMBL20005687

SCHEMBL20005687

COc1ccccc1OCCOc1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 10/20 0.58
TDP1 Q9NUW8 5/20 0.56
LMNA P02545 3/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 7/20 0.53
HPGD P15428 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MIF P14174 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MTNR1A P48039 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
SCHEMBL1592876 0.89 TDP1 (0.60) L3MBTL1TDP1LMNAMAPTHPGD
SCHEMBL1592409 0.89 CA12 (0.68) L3MBTL1TDP1LMNACA12CA1
SCHEMBL1710090 0.85 TDP1 (0.54) L3MBTL1TDP1LMNAMAPTHPGD
SCHEMBL10491992 0.83 ALDH1A1 (0.55) L3MBTL1TDP1LMNAMAPTHPGD
SCHEMBL18312558 0.83 ALDH1A1 (0.55) L3MBTL1TDP1LMNAMAPTHPGD
SCHEMBL8977149 0.83 L3MBTL1 (0.79) L3MBTL1TDP1LMNACA12CA1
SCHEMBL5318074 0.83 L3MBTL1 (0.61) L3MBTL1TDP1LMNACA12CA1
SCHEMBL386935 0.82 L3MBTL1 (0.65) L3MBTL1TDP1LMNAMAPTHPGD
SCHEMBL9808080 0.82 ALDH1A1 (0.62) L3MBTL1TDP1LMNAMAPTHPGD
SCHEMBL29742239 0.82 L3MBTL1 (0.77) L3MBTL1TDP1LMNACA12CA1

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 L3MBTL1 805/4885TDP1 2209/4885LMNA 2800/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 L3MBTL1 805/4885TDP1 2209/4885LMNA 2800/4885

“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.