SCHEMBL17434699

SCHEMBL17434699

COC(=O)COc1ncccc1[O]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL17434668 0.84 ALDH1A1 (0.50) POLBL3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL3238420 0.83 ALDH1A1 (0.42) POLBTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL3251631 0.82 GRM4 (0.40) POLBTDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL13843050 0.80 POLB (0.39) POLBTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL3250987 0.78 KDM4E (0.46) POLBTDP1LMNAALDH1A1MAPT
SCHEMBL3248072 0.77 LMNA (0.56) POLBTDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL7005171 0.75 P2RX7 (0.47) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2644930 0.74
SCHEMBL7583697 0.72 TSHR (0.56) POLBSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL15517314 0.72 LMNA (0.53) L3MBTL1SMN1; SMN2LMNAALDH1A1MAPT

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 3 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
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP 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 POLB 4658/4885TDP1 2289/4885L3MBTL1 2424/4885

“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.