SCHEMBL6966435

SCHEMBL6966435

[O]C(=O)Oc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
PARP10 Q53GL7 1/20 0.46
CXCL8 P10145 1/20 0.46
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 1/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2940941 0.84 FAAH (0.49) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL29585912 0.84 FAAH (0.49) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL18697277 0.84 FAAH (0.49) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL57243 0.84 FAAH (0.49) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL6966438 0.83 CES2 (0.47) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL57244 0.82 FAAH (0.51) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL1977066 0.80 ALDH1A1 (0.48) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL2322496 0.80 PARP10 (0.53) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL247351 0.80 PTGS2 (0.57) FAAHALDH1A1SMN1; SMN2MAPTPARP10
SCHEMBL15763905 0.78 ALDH1A1 (0.57) FAAHALDH1A1SMN1; SMN2MAPTCXCL8

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-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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 FAAH 2622/4885ALDH1A1 596/4885SMN1; SMN2 3533/4885

“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.