SCHEMBL6742902

SCHEMBL6742902

COc1cc(C(=O)O)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8348157 0.93 ALDH1A1 (0.47) PYGLLCKFYNRAB9ANPC1
SCHEMBL28052752 0.87 NPC1 (0.49) PYGLRAB9ANPC1MAPTKDM4E
SCHEMBL6284961 0.86 RAB9A (0.46) PYGLLCKFYNRAB9ANPC1
SCHEMBL25304441 0.86 PYGL (0.52) PYGLLCKFYNRAB9ANPC1
SCHEMBL6719734 0.86 NPC1 (0.51) PYGLRAB9ANPC1MAPTKDM4E
SCHEMBL1766160 0.85 LCK (0.60) LCKFYNRAB9AMAPTKDM4E
SCHEMBL3347725 0.84 NPC1 (0.47) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL8067926 0.84 GAA (0.53) PYGLRAB9ANPC1MAPTKDM4E
SCHEMBL6743024 0.83 LCK (0.58) LCKFYNRAB9ANPC1MAPT
SCHEMBL18700941 0.83 HTT (0.55) LCKFYNRAB9AMAPTKDM4E

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 7 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
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 PYGL 1706/4885LCK 628/4885FYN 1918/4885
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 PYGL 3004/4885LCK 3372/4885FYN 3409/4885

“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.