SCHEMBL616620

SCHEMBL616620

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KIF11 P52732 1/20 0.41
KCNN4 O15554 3/20 0.39
EPHX1 P07099 5/20 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
SCHEMBL6544643 0.83 MAPT (0.47) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL16021883 0.83 MAPT (0.47) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL7197406 0.83 MAPT (0.47) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL27518695 0.82 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL7683963 0.82 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL16021885 0.82 KMT2A (0.45) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL16021889 0.82 KMT2A (0.45) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL29253368 0.82 MAPT (0.55) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL28239285 0.80 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL615871 0.78 MAPT (0.52) MAPTKMT2ACYP2D6CYP1A2CYP2C19

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 10 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
US-6686369-B1 α-hydrdroxylic acid derivatives, their production and use ABBOTT GMBH & CO., KG (DE) 2004-02-03 US disclosed
CN-1222146-A Novel alpha-hydroxy acid derivatives, their preparation and their use BASF AG (DE) 1999-07-07 CN 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 3433/4885CYP2D6 3839/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885CYP2D6 3839/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 589/4885KMT2A 3504/4885CYP2D6 3614/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885CYP2D6 3839/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 MAPT 564/4885KMT2A 3433/4885CYP2D6 3839/4885

“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.