SCHEMBL13246765

SCHEMBL13246765

CC(C)(C)C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
MAPT P10636 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
AGTR1 P30556 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
ALDH1A1 P00352 2/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
USP2 O75604 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL8237871 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A
SCHEMBL15745797 0.91 PGR (0.51) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A
SCHEMBL226691 0.86 CES1 (0.58) SMN1; SMN2MAPTL3MBTL1HPGDKDM4E
SCHEMBL10711163 0.85 SMN1; SMN2 (0.57) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A
Hydrochloric Acid SCHEMBL2597972 0.84 CES1 (0.56) SMN1; SMN2MAPTL3MBTL1HPGDKDM4E
SCHEMBL15131310 0.84 KMO (0.62) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL6469949 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A
SCHEMBL29242313 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A
SCHEMBL257751 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A
SCHEMBL29242363 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A

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 SMN1; SMN2 4649/4885MAPT 4574/4885L3MBTL1 1585/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 SMN1; SMN2 4649/4885MAPT 4574/4885L3MBTL1 1585/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 SMN1; SMN2 4649/4885MAPT 4574/4885L3MBTL1 1585/4885

“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.