SCHEMBL616618

SCHEMBL616618

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX5 P09917 1/20 0.43
LMNA P02545 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KCNN4 O15554 4/20 0.40
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ADRA2A P08913 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
SCHEMBL10881443 0.85 CYP2D6 (0.47) KMT2AMAPTCYP2D6CYP1A2ALOX5
SCHEMBL10881451 0.85 CYP2D6 (0.47) KMT2AMAPTCYP2D6CYP1A2ALOX5
SCHEMBL27632932 0.83 MAPT (0.53) KMT2AMAPTCYP2D6CYP1A2ALOX5
SCHEMBL9741642 0.80 MAPT (0.46) KMT2AMAPTCYP2D6CYP1A2KCNN4
SCHEMBL29084050 0.80 MAPT (0.50) KMT2AMAPTCYP2D6CYP1A2ALOX5
SCHEMBL4560696 0.79 MAPT (0.53) KMT2AMAPTCYP2D6CYP1A2ALOX5
SCHEMBL615869 0.79 MAPT (0.48) KMT2AMAPTCYP2D6CYP1A2ALOX5
SCHEMBL14246913 0.78 KMT2A (0.47) KMT2AMAPTCYP2D6CYP1A2ALOX5
SCHEMBL3838081 0.77 KIF11 (0.49) KMT2AMAPTCYP2D6CYP1A2LMNA
SCHEMBL616397 0.77 MAPT (0.47) KMT2AMAPTCYP2D6CYP1A2ALOX5

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 KMT2A 3433/4885MAPT 564/4885CYP2D6 3839/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885MAPT 564/4885CYP2D6 3839/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3504/4885MAPT 589/4885CYP2D6 3614/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 KMT2A 3433/4885MAPT 564/4885CYP2D6 3839/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KMT2A 3433/4885MAPT 564/4885CYP2D6 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.