SCHEMBL13246736

SCHEMBL13246736

Cc1ccc(-c2ccc(C(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
ALDH1A1 P00352 5/20 0.50
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
NLRP1 Q9C000 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
NTSR1 P30989 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 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
SCHEMBL1701967 0.93 CA2 (0.57) CA2ALDH1A1CES2CES1LMNA
SCHEMBL15745797 0.91 PGR (0.51) CA2SMN1; SMN2PGRARHTT
SCHEMBL18437044 0.87 ALDH1A1 (0.70) CA2ALDH1A1CES2CES1LMNA
SCHEMBL10031827 0.83 PGR (0.47) CA2ALDH1A1CES2CES1LMNA
SCHEMBL15746996 0.83 HSD17B1 (0.59) LMNASMN1; SMN2PGRARHPGD
SCHEMBL13246765 0.83 SMN1; SMN2 (0.59) ALDH1A1LMNASMN1; SMN2PGRAR
SCHEMBL20630801 0.83 HSD17B1 (0.59) CA2LMNAPGRARPKM
SCHEMBL8237871 0.83 SMN1; SMN2 (0.59) ALDH1A1LMNASMN1; SMN2PGRAR
SCHEMBL11528364 0.82 MMP13 (0.58) CA2ALDH1A1CES2CES1LMNA
SCHEMBL14226767 0.81 DHODH (0.51) LMNAGAAMAPTRXRARXRB

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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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 (3 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA2 2748/4885ALDH1A1 4703/4885CES2 3242/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA2 2748/4885ALDH1A1 4703/4885CES2 3242/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA2 2748/4885ALDH1A1 4703/4885CES2 3242/4885

“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.