SCHEMBL19627258

SCHEMBL19627258

CNCCc1cc(Cl)cc(C(=O)O)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.41
HTR2A P28223 1/20 0.40
APEX1 P27695 2/20 0.39
KMT2A Q03164 2/20 0.39
ACLY P53396 2/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
SLC2A1 P11166 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL19612078 0.84 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4
SCHEMBL19612164 0.82 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4
SCHEMBL30810366 0.79 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4
SCHEMBL19627276 0.78 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4
SCHEMBL30239427 0.78 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDAPEX1
SCHEMBL19627277 0.77 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4
SCHEMBL19627272 0.74 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4
SCHEMBL30810413 0.74 KMT2A (0.43) KDM4EALDH1A1HPGDKMT2AACLY
SCHEMBL30810271 0.73 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDAPEX1
SCHEMBL30810222 0.73 KDM4E (0.47) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 US disclosed
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer AK2, PC, GLS2 KDM4E 1323/4885HSD17B10 426/4885ALDH1A1 463/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 KDM4E 1333/4885HSD17B10 339/4885ALDH1A1 446/4885

“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.