SCHEMBL616622

SCHEMBL616622

CC(C(N)=O)(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
AOC3 Q16853 1/20 0.47
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 4/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KCNN4 O15554 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.39
EPHX1 P07099 5/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL4560696 0.82 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2LMNA
SCHEMBL3847248 0.82 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2LMNA
SCHEMBL615873 0.81 KMT2A (0.52) MAPTKMT2ACYP2D6CYP1A2LMNA
SCHEMBL616401 0.81 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2LMNA
SCHEMBL5053650 0.79 MAPT (0.59) MAPTKMT2ACYP2D6CYP1A2LMNA
SCHEMBL616297 0.78 MAPT (0.49) MAPTKMT2AAOC3SLC6A2SLC6A4
SCHEMBL618739 0.78 KMT2A (0.49) MAPTKMT2ACYP2D6CYP1A2LMNA
SCHEMBL4559945 0.78 MAPT (0.49) MAPTKMT2ACYP2D6LMNACNR1
SCHEMBL7136093 0.77 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2LMNA
SCHEMBL18493201 0.75 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2LMNA

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
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-01 US disclosed
US-10745390-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-08-18 US disclosed
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-11-23 US disclosed
US-9695157-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-07-04 US disclosed
US-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-07-30 US disclosed
US-9000009-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-04-07 US disclosed
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
WO-2010068767-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-17 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 (5 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-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885AOC3 861/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885AOC3 861/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 589/4885KMT2A 3504/4885AOC3 880/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885AOC3 861/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885AOC3 861/4885

“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.