SCHEMBL17466150

SCHEMBL17466150

COC(=O)C(C(=O)OC(C)(C)C)c1cc(C)c(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ APP P05067 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL17466156 0.88 CA12 (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL17434691 0.81 LMNA (0.40) KMT2ALMNAAPPPOLBMEN1
SCHEMBL16068693 0.77 CES2 (0.40) KMT2ALMNAAPPPOLBGAA
SCHEMBL31147944 0.76 APP (0.39) KMT2ALMNAAPPCHRNA1CHRNG
SCHEMBL17434692 0.75 LMNA (0.37) KMT2ALMNAMAPK1APPPOLB
SCHEMBL16068702 0.74 KMT2A (0.43) KMT2ALMNAMAPK1GAAMEN1
SCHEMBL16068900 0.73 LMNA (0.40) KMT2ALMNAMAPK1POLBMEN1
SCHEMBL925433 0.70 RORC (0.41) KMT2ALMNAMEN1MAPTHPGD
SCHEMBL3412184 0.70 LMNA (0.35) KMT2ALMNAAPP
SCHEMBL3410012 0.70 LMNA (0.35) KMT2ALMNAAPP

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 2 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 — — 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 (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 CA12 3288/4885CA1 783/4885CA2 1003/4885

“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.

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