SCHEMBL16068898

SCHEMBL16068898

COc1cc(CO)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.45
SUV39H2 Q9H5I1 7/20 0.44
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3396291 0.89 PDE4A (0.57) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL19628279 0.88 PDE4A (0.50) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL12486805 0.88 TAAR1 (0.61) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL30422333 0.88 TAAR1 (0.61) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL14094904 0.84 PDE4A (0.47) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL24252762 0.82 HTR2A (0.47) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL19175614 0.82 GAA (0.60) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL30467763 0.82 HTR2A (0.47) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL6739489 0.82 TAAR1 (0.51) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL6828066 0.82 TAAR1 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
WO-2014142307-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 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 (1 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 TAAR1 1781/4885PDE4A 1850/4885PDE4B 2169/4885

“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.