SCHEMBL6421722

SCHEMBL6421722

NC(=O)OCCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
TDP1 Q9NUW8 2/20 0.50
CDYL Q9Y232 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP10 Q53GL7 1/20 0.49
LMNA P02545 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ACP3 P15309 1/20 0.45
COPS5 Q92905 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44

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
SCHEMBL28834673 0.90 LMNA (0.57) MTNR1ATDP1CDYLMEN1KMT2A
SCHEMBL11566791 0.89 MTNR1A (0.54) MTNR1ATDP1CDYLMEN1KMT2A
SCHEMBL11567919 0.88 MTNR1A (0.52) MTNR1ATDP1CDYLMEN1KMT2A
SCHEMBL20917770 0.85 TDP1 (0.51) MTNR1ATDP1CDYLCHRM5CHRM1
SCHEMBL6989892 0.83 CDYL (0.53) MTNR1ATDP1CDYLMEN1KMT2A
SCHEMBL6421718 0.83 TDP1 (0.50) MTNR1ATDP1CDYLMEN1KMT2A
SCHEMBL7018412 0.83 MTNR1A (0.56) MTNR1A
SCHEMBL1998527 0.83 MEN1 (0.59) MTNR1ATDP1MEN1KMT2APARP10
SCHEMBL28342504 0.83 LMNA (0.44) MTNR1ACDYLMEN1KMT2APARP10
SCHEMBL21596423 0.82 MEN1 (0.56) MTNR1ATDP1CDYLMEN1KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US claimed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-1123279-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed
WO-2000023425-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
US-5928515-A LIQUID CHROMATOGRAPHY TO STEREOSPECIFICALLY ADSORB ENANTIOMORPH ONTO POLYSACCHARIDE CARBAMATE AND SUBSEQUENT DESORPTION WITH LOW MOLECULAR WEIGHT ALIPHATIC ALCOHOL UOP LLC (US) 1999-07-27 US disclosed
US-5532402-A Process for producing optically active hydroxyalkylphosphonates TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-07-02 US disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed
US-5039801-A Refluxing in alcoholic solution THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1991-08-13 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 MTNR1A 3582/4885TDP1 1385/4885CDYL 655/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB MTNR1A 339/4885TDP1 4505/4885CDYL 2494/4885

“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.