SCHEMBL616520

SCHEMBL616520

CONC(=O)C(C)(c1ccccc1)C(OC)(OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.43
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CES1 P23141 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL617937 0.81 MAPT (0.53) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL4447296 0.78 HDAC3 (0.63) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL28627442 0.78 MAPT (0.57) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6904745 0.76 CES1 (0.58) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL28615437 0.75 KCNN4 (0.62) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL2028143 0.71 KCNN4 (0.43) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL1818707 0.71 PPARA (0.47) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL20837204 0.69 KCNN4 (0.48) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL10710208 0.69 ALDH1A1 (0.46) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL18259095 0.68 CES1 (0.52) KCNN4MAPTKMT2ACES1CYP2C19

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 KCNN4 2964/4885HDAC3 2192/4885HDAC4 1157/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KCNN4 2964/4885HDAC3 2192/4885HDAC4 1157/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KCNN4 2739/4885HDAC3 1945/4885HDAC4 1092/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 KCNN4 2964/4885HDAC3 2192/4885HDAC4 1157/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 KCNN4 2964/4885HDAC3 2192/4885HDAC4 1157/4885

“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.

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