SCHEMBL16068652

SCHEMBL16068652

CCOC(=O)C(=O)c1ccc(F)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.50
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL2124837 0.86 MAPK1 (0.58) HSD17B2RAB9AMEN1KMT2ATSHR
SCHEMBL16068790 0.84 ALDH1A1 (0.45) HSD17B2MEN1KMT2ATSHRMAPK1
SCHEMBL16068646 0.84 HSD17B2 (0.50) HSD17B2RAB9AMEN1KMT2ATSHR
SCHEMBL3184223 0.84 CES2 (0.60) RAB9AMEN1KMT2ATSHRLMNA
SCHEMBL757997 0.83 HSD17B2 (0.72) HSD17B2RAB9AMEN1KMT2AHTT
SCHEMBL17466069 0.83 CES2 (0.44) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL16068855 0.82 HSD17B2 (0.50) HSD17B2RAB9AMEN1KMT2ATSHR
SCHEMBL760141 0.80 PDE4B (0.56) HSD17B2RAB9AMEN1KMT2ATSHR
SCHEMBL7647820 0.80 MAPT (0.46) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL15657764 0.79 MEN1 (0.65) HSD17B2MEN1KMT2ATSHRALDH1A1

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 HSD17B2 1360/4885RAB9A 3766/4885MEN1 3576/4885

“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.