SCHEMBL12486805

SCHEMBL12486805

COc1cc(CO)c(OC)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
SUV39H2 Q9H5I1 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL30422333 1.00 TAAR1 (0.61) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL29768359 0.89 PDE4A (0.52) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL15053663 0.89 PDE4A (0.52) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL19628279 0.88 PDE4A (0.50) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL16068898 0.88 TAAR1 (0.52) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL16156475 0.87 PDE4A (0.62) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL3396291 0.85 PDE4A (0.57) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL13696483 0.84 PDE4A (0.47) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL12694342 0.83 TAAR1 (0.78) TAAR1GAANPC1SMN1; SMN2ALDH1A1
SCHEMBL6739489 0.82 TAAR1 (0.51) TAAR1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
CN-110573509-A MLKL inhibitors 北京生命科学研究所 2019-12-13 CN disclosed
US-9169182-B2 Chrysophaentin analogs that inhibit FtsZ protein THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-27 US disclosed
US-9169182-B2 Chrysophaentin analogs that inhibit FtsZ protein THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-27 US disclosed
US-9169182-B2 Chrysophaentin analogs that inhibit FtsZ protein THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-27 US disclosed
CN-103649028-A Clinostatin analogs that inhibit FtsZ proteins US GOVERNMENT 2014-03-19 CN disclosed
EP-2678297-A2 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2014-01-01 EP disclosed
US-20130331460-A1 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-12-12 US disclosed
US-20130331460-A1 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-12-12 US disclosed
US-20130331460-A1 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-12-12 US disclosed
WO-2012116254-A2 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-30 WO disclosed
WO-2012116254-A2 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-30 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 (2 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 TAAR1 4879/4885PDE4A 2095/4885PDE4B 1621/4885
US-20130331460-A1 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN CDC42, CEP170, FNTA TAAR1 4818/4885PDE4A 4334/4885PDE4B 4510/4885

“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.