SCHEMBL3804367

SCHEMBL3804367

CC(C)(C)[Si](C)(C)OCC(Cc1ccccc1)N(C=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.38
OPRK1 P41145 4/20 0.38
OPRD1 P41143 3/20 0.38
BTN3A1 O00481 4/20 0.36
BACE1 P56817 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
MAOB P27338 1/20 0.34
CTRB1 P17538 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33

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
SCHEMBL3740158 0.89 ATM (0.38) OPRM1OPRK1OPRD1BTN3A1BACE1
SCHEMBL16213520 0.75 MEN1 (0.40) BTN3A1MEN1HTTKMT2AL3MBTL1
SCHEMBL7663381 0.75 TAAR1 (0.37) BTN3A1BACE1MEN1KMT2AATM
SCHEMBL4698511 0.75 CYP1A2 (0.54)
SCHEMBL3736566 0.74 CYP1A2 (0.43) OPRM1OPRK1OPRD1HPGDMEN1
SCHEMBL16213420 0.74 MEN1 (0.40) BTN3A1MEN1HTTKMT2AL3MBTL1
SCHEMBL16213419 0.74 MEN1 (0.40) BTN3A1MEN1HTTKMT2AL3MBTL1
SCHEMBL3428434 0.73 ADRB2 (0.40)
SCHEMBL3428431 0.73 ADRB2 (0.40)
SCHEMBL1845710 0.73 SLC6A2 (0.40)

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-7829304-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2010-11-09 US disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-03 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 (1 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-20050245616-A1 Compounds and related methods for mutant p53 reactivation TP53, TP53BP1, MDM2 OPRM1 4337/4885OPRK1 4148/4885OPRD1 4727/4885

“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.