SCHEMBL17434705

SCHEMBL17434705

[O]C(=O)Oc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 3/20 0.41
FAAH O00519 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
NR4A2 P43354 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL57245 0.82 KMT2A (0.50) KMT2AATMCES2CES1ALDH1A1
SCHEMBL14389790 0.80 KMT2A (0.46) KMT2AATMCES2CES1ALDH1A1
SCHEMBL18697279 0.80 KMT2A (0.46) KMT2AATMCES2CES1ALDH1A1
SCHEMBL28894377 0.78 KMT2A (0.48) KMT2AATMCES2CES1KDM4E
SCHEMBL5865254 0.78 KMT2A (0.44) KMT2AATMCES2CES1ALDH1A1
SCHEMBL27468272 0.78 KMT2A (0.44) KMT2AATMCES2CES1ALDH1A1
SCHEMBL696908 0.78 KMT2A (0.44) KMT2AATMCES2CES1ALDH1A1
SCHEMBL374366 0.78 KIF11 (0.55) KMT2AATMCES2CES1ALDH1A1
SCHEMBL660921 0.78 LMNA (0.64) KMT2AATMALDH1A1SMN1; SMN2KDM4E
SCHEMBL4171491 0.78 KMT2A (0.44) KMT2AATMCES2CES1ALDH1A1

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 KMT2A 880/4885ATM 1506/4885CES2 673/4885

“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.