SCHEMBL12648342

SCHEMBL12648342

CCCCCC1CC(=O)C(C(C)=O)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.45
TLR4 O00206 1/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
ELANE P08246 1/20 0.36
ALOX5 P09917 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCR2 P41597 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL14867423 0.98 CYP1A2 (0.44) CYP1A2TLR4ALDH1A1L3MBTL1POLB
SCHEMBL12648134 0.95 TLR4 (0.44) CYP1A2TLR4ALDH1A1L3MBTL1POLB
SCHEMBL15328889 0.87 FYN (0.41) CYP1A2TLR4ALDH1A1ELANEKMT2A
SCHEMBL12648393 0.86 CYP1A2 (0.45) CYP1A2TLR4ALDH1A1L3MBTL1POLB
SCHEMBL14867424 0.84 CYP1A2 (0.44) CYP1A2TLR4ALDH1A1L3MBTL1POLB
SCHEMBL12648140 0.80 TLR4 (0.44) CYP1A2TLR4ALDH1A1POLBELANE
SCHEMBL1766113 0.79 NPSR1 (0.35) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL9799080 0.77 CYP1A2 (0.50) CYP1A2TLR4ALDH1A1L3MBTL1PKM
SCHEMBL18272605 0.77 SMN1; SMN2 (0.39) TLR4ALDH1A1POLB
SCHEMBL10424083 0.74 CYP1A2 (0.45) CYP1A2ALDH1A1HTTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US claimed
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms SOUTHERN RESEARCH INSTITUTE (US) 2013-04-18 US disclosed
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms SOUTHERN RESEARCH INSTITUTE (US) 2013-04-18 US disclosed
WO-2011062964-A1 COMPOUNDS AND METHODS FOR ALTERING LIFESPAN OF EUKARYOTIC ORGANISMS UNIVERSITY OF ROCHESTER (US) 2011-05-26 WO 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-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms HDAC5, AADAC, SIRT1 CYP1A2 2598/4885TLR4 602/4885ALDH1A1 562/4885

“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.