SCHEMBL13246761

SCHEMBL13246761

C/C(=C\C(=O)C(C)(C)C)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ HTT P42858 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NLRP1 Q9C000 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CES2 O00748 2/20 0.45
▸ CES1 P23141 2/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43

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
SCHEMBL5857387 0.83 MAPT (0.58) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL5857393 0.83 MAPT (0.58) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL12921562 0.79 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL9609511 0.79 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL14731820 0.79 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL9613249 0.78 NR4A1 (0.61) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL15784370 0.78 ALDH1A1 (0.61) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL12883158 0.78 NR4A1 (0.61) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL30586729 0.74 ALDH1A1 (0.47) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL29831721 0.74 ALDH1A1 (0.47) ALDH1A1HTTNPSR1LMNASMN1; SMN2

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 ALDH1A1 4703/4885HTT 4584/4885NPSR1 3333/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALDH1A1 4703/4885HTT 4584/4885NPSR1 3333/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALDH1A1 4703/4885HTT 4584/4885NPSR1 3333/4885

“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.

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