SCHEMBL1843692

SCHEMBL1843692

Cc1ccc2c(c1)C(C(=O)O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.53
RECQL P46063 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
LMNA P02545 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 3/20 0.39
FABP4 P15090 3/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5155950 0.90 SIRT1 (0.46) SIRT1PTGDR2FABP4
SCHEMBL11002624 0.87 SIRT1 (0.50) SIRT1RECQLSIRT2LMNAPTGDR2
SCHEMBL29673179 0.81 KDM4C (0.46) SIRT1SIRT2PTGDR2FABP4
SCHEMBL28766567 0.81 KDM4C (0.46) SIRT1SIRT2PTGDR2FABP4
SCHEMBL8370378 0.81 ALDH1A1 (0.54) SIRT1LMNAKMT2AFABP4MEN1
SCHEMBL1843417 0.81 KDM4C (0.46) SIRT1PTGDR2KMT2AFABP4NPC1
SCHEMBL1842659 0.80 SIRT1 (0.56) SIRT1
SCHEMBL30695338 0.80 SIRT1 (0.56) SIRT1
SCHEMBL1845647 0.80 C5AR1 (0.45) SIRT1LMNAKMT2AFABP4MEN1
SCHEMBL1844201 0.80 SIRT1 (0.56) SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP 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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 SIRT1 565/4885RECQL 4545/4885SIRT2 1470/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S SIRT1 817/4885RECQL 4411/4885SIRT2 2235/4885

“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.