SCHEMBL4652272

SCHEMBL4652272

COc1ccc(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2Cc2cccc3ccccc23)cc1CC(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.62
MCL1 Q07820 2/20 0.45
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMPD1 P17405 1/20 0.40
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
BCL2L11 O43521 1/20 0.37
BAK1 Q16611 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CETP P11597 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL4652440 0.97 BCL2L1 (0.58) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL4651677 0.97 BCL2L1 (0.58) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL4652402 0.91 BCL2L1 (0.65) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL14066613 0.89 BCL2L1 (0.56) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL4652522 0.89 BCL2L1 (0.61) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL14066629 0.88 BCL2L1 (0.56) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL14066701 0.88 BCL2L1 (0.55) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL14066628 0.87 BCL2L1 (0.57) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL4651452 0.87 BCL2L1 (0.57) BCL2L1MCL1TP53MDM2ALDH1A1
SCHEMBL4651217 0.87 BCL2L1 (0.58) BCL2L1MCL1TP53MDM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1408986-A4 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2006-01-11 EP 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
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 EP 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
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 WO 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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 BCL2L1 716/4885MCL1 1291/4885TP53 468/4885
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.