SCHEMBL2417850

SCHEMBL2417850

CC(=O)c1ccccc1Sc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.67
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 4/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NSD2 O96028 2/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
SLC6A9 P48067 1/20 0.43
LMNA P02545 3/20 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
SCHEMBL28451989 0.87 CA12 (0.50) SIRT1ALDH1A1HPGDCA12CA1
SCHEMBL20591207 0.87 SIRT1 (0.51) SIRT1ALDH1A1HPGDL3MBTL1CA12
SCHEMBL27780108 0.85 SIRT1 (0.54) SIRT1ALDH1A1HPGDL3MBTL1CA12
SCHEMBL2306567 0.85 CHRM2 (0.54) SIRT1ALDH1A1HPGDL3MBTL1NSD2
SCHEMBL12504708 0.85 SIRT1 (0.50) SIRT1ALDH1A1HPGDL3MBTL1CA12
SCHEMBL26842232 0.85 SIRT1 (0.50) SIRT1ALDH1A1HPGDL3MBTL1NSD2
SCHEMBL599930 0.85 SIRT1 (0.50) SIRT1ALDH1A1HPGDL3MBTL1CA12
SCHEMBL8959187 0.83 SIRT1 (0.71) SIRT1ALDH1A1HPGDL3MBTL1CA12
SCHEMBL231042 0.83 SIRT1 (0.71) SIRT1ALDH1A1HPGDL3MBTL1CA12
Acetophenone SCHEMBL28395442 0.83 ALDH1A1 (0.59) SIRT1ALDH1A1HPGDL3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687781-B Compound for photoacid generator and use its anti-corrosion agent composition, pattern formation method CENTRAL GLASS CO.,LTD. (JP) 2015-08-12 CN disclosed
EP-2533610-A1 Composition for Charge-Transport Film and Ionic Compound, Charge-Transport Film and Organic Electroluminescence Device Using the Same, and Production Method of the Organic Electruminescence Device and Production Method of the Charge-Transport Film Mitsubishi Chemical Corporation (JP) 2012-12-12 EP disclosed
EP-2235029-B1 NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS BASF SE (DE) 2011-09-21 EP disclosed
EP-2235029-A1 NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS BASF SE (DE) 2010-10-06 EP disclosed
CN-101687781-A Compound for photoacid generator, resist composition using the same, and pattern-forming method CENTRAL GLASS CO LTD 2010-03-31 CN disclosed
WO-2009083435-A1 NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS BASF SE (DE) 2009-07-09 WO disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 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 (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-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators NR3C2, NR3C1, NR5A1 SIRT1 497/4885ALDH1A1 2206/4885HPGD 318/4885

“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.