SCHEMBL254749

SCHEMBL254749

CC(C)Cc1cc(-c2ccc(-c3ccc(CCC(=O)O)cc3CC(C)C)cc2Cc2cccc3ccccc23)ccc1OCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 1.00
MCL1 Q07820 2/20 0.78
TP53 P04637 1/20 0.76
MDM2 Q00987 1/20 0.76
BCL2L11 O43521 1/20 0.58
BAK1 Q16611 1/20 0.58
PDE1A P54750 2/20 0.53
PDE1B Q01064 2/20 0.53
PDE1C Q14123 2/20 0.53
FFAR4 Q5NUL3 4/20 0.49
FFAR1 O14842 3/20 0.43
AKR1B1 P15121 1/20 0.43
PLA2G1B P04054 3/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2F Q9BZM2 1/20 0.41
PLA2G2E Q9NZK7 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL17805815 0.91 BCL2L1 (0.84) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL19425571 0.91 BCL2L1 (0.83) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL4651385 0.89 BCL2L1 (0.98) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL4652392 0.88 BCL2L1 (0.79) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL4652386 0.88 BCL2L1 (0.79) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL4651590 0.87 TP53 (1.00) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL19420098 0.86 BCL2L1 (0.75) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL4652550 0.86 BCL2L1 (0.75) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL5559504 0.86 BCL2L1 (0.74) BCL2L1MCL1TP53MDM2BCL2L11
SCHEMBL14347691 0.83 BCL2L1 (0.71) BCL2L1MCL1TP53MDM2BCL2L11

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161851-A1 COMBINATION THERAPY OF LYMPHOMA DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2021-06-03 US disclosed
US-20180161391-A1 INHIBITORS OF BCL-2 UNIV CASE WESTERN RESERVE (US) 2018-06-14 US disclosed
US-20170224678-A1 INHIBITORS OF BCL-2 CASE WESTERN RESERVE UNIVERSITY 2017-08-10 US disclosed
US-20170224678-A1 INHIBITORS OF BCL-2 CASE WESTERN RESERVE UNIVERSITY 2017-08-10 US disclosed
US-9657073-B2 Inhibitors of Bcl-2 CASE WESTERN RESERVE UNIVERSITY (US) 2017-05-23 US disclosed
US-9657073-B2 Inhibitors of Bcl-2 CASE WESTERN RESERVE UNIVERSITY (US) 2017-05-23 US disclosed
US-20160158189-A1 SENSITIZATION OF CANCER CELLS TO APOPTOSIS INDUCTION BY FLAVAGLINES AND 5-HYDROXY-FLAVONES DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-06-09 US disclosed
US-20130217633-A1 INHIBITORS OF BCL-2 CASE WESTERN RESERVE UNIVERSITY (US) 2013-08-22 US disclosed
US-20130217633-A1 INHIBITORS OF BCL-2 CASE WESTERN RESERVE UNIVERSITY (US) 2013-08-22 US disclosed
US-8445441-B2 Inhibitors of BCL-2 CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-21 US disclosed
US-20110312896-A1 INHIBITORS OF BCL-2 DISTELHORST CLARK W (US) 2011-12-22 US disclosed
US-8034779-B2 Inhibitors of BCL-2 CASE WESTERN RESERVE UNIVERSITY (US) 2011-10-11 US disclosed
US-8034779-B2 Inhibitors of BCL-2 CASE WESTERN RESERVE UNIVERSITY (US) 2011-10-11 US disclosed
US-20090048168-A1 INHIBITORS OF BCL-2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
US-20090048168-A1 INHIBITORS OF BCL-2 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 US disclosed
US-20050215563-A1 Proteomimetic compounds and methods YALE UNIVERSITY 2005-09-29 US disclosed
US-6858600-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2005-02-22 US disclosed
US-20030008882-A1 Proteomimetic compounds and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 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 (9 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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 BCL2L1 716/4885MCL1 1291/4885TP53 468/4885
US-20170224678-A1 INHIBITORS OF BCL-2 BCL2, BAX, BAK1 BCL2L1 5/4885MCL1 14/4885TP53 44/4885
US-20210161851-A1 COMBINATION THERAPY OF LYMPHOMA IKBKB, NFKBIA, BCL3 BCL2L1 23/4885MCL1 21/4885TP53 102/4885
US-20090048168-A1 INHIBITORS OF BCL-2 BCLAF1, BID, BCL2L1 BCL2L1 3/4885MCL1 16/4885TP53 179/4885
US-20180161391-A1 INHIBITORS OF BCL-2 BCLAF1, BCL2L1, BCL2L11 BCL2L1 2/4885MCL1 13/4885TP53 74/4885
US-20110312896-A1 INHIBITORS OF BCL-2 BCLAF1, BID, BCL2L1 BCL2L1 3/4885MCL1 16/4885TP53 179/4885
US-20130217633-A1 INHIBITORS OF BCL-2 BCLAF1, BCL2L1, BCL2L11 BCL2L1 2/4885MCL1 13/4885TP53 74/4885
US-20160158189-A1 SENSITIZATION OF CANCER CELLS TO APOPTOSIS INDUCTION BY FLAVAGLINES AND 5-HYDROXY-FLAVONES CASP5, API5, BAX BCL2L1 28/4885MCL1 10/4885TP53 68/4885
US-20050215563-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 BCL2L1 716/4885MCL1 1291/4885TP53 468/4885

“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.