SCHEMBL5344091

SCHEMBL5344091

COc1ccc(-c2ccc(CCC#N)cc2CC(C)C)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
BCL2L1 Q07817 2/20 0.40
MCL1 Q07820 1/20 0.40
GABRA1 P14867 5/20 0.36
GABRB2 P47870 5/20 0.36
ALOX5 P09917 2/20 0.35
GRM2 Q14416 3/20 0.34
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STAT3 P40763 1/20 0.32
THRB P10828 1/20 0.32
RORC P51449 1/20 0.32
REN P00797 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4651441 0.93 BCL2L1 (0.42) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4651543 0.90 BCL2L1 (0.46) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL5353343 0.84 BCL2L1 (0.45) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4653801 0.84 GABRA1 (0.43) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4652334 0.83 TP53 (0.40) TP53MDM2BCL2L1MCL1RORC
SCHEMBL14066551 0.83 TP53 (0.37) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4651339 0.83 TP53 (0.58) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL14066557 0.82 TP53 (0.37) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4651217 0.82 BCL2L1 (0.58) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4651179 0.82 TP53 (0.59) TP53MDM2BCL2L1MCL1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 TP53 468/4885MDM2 569/4885BCL2L1 716/4885
US-20050215563-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 TP53 468/4885MDM2 569/4885BCL2L1 716/4885

“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.