SCHEMBL6695069

SCHEMBL6695069

O=C(O)OCCc1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 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
SCHEMBL6695072 0.89 L3MBTL1 (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27611364 0.86 L3MBTL1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2876829 0.83 L3MBTL1 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13886136 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7096241 0.79 ESR2 (0.46) HPGDSMN1; SMN2
SCHEMBL29673144 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5045620 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL24543320 0.77 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29673072 0.77 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL27449727 0.76 TAAR1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19L3MBTL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5286912-A None JP disclosed
JP-5286906-A None JP disclosed
JP-5286909-A None JP 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
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-0950657-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors LILLY CO ELI (US) 2004-07-14 EP disclosed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
CN-1149193-C Substituted tricyclic compound 2004-05-12 CN disclosed
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
CN-1253948-A Substituted tricyclic compound LILLY CO ELI (US) 2000-05-24 CN disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed
EP-0950657-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed
EP-0650957-A1 ANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-05-03 EP disclosed
JP-H05286906-A CARBONIC ACID ESTER DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1993-11-02 JP disclosed
JP-H05286912-A PRODUCTION OF AMINOPHENOL DERIVATIVE SUMITOMO CHEM CO LTD 1993-11-02 JP disclosed
JP-H05286909-A NITRIBENZENE DERIVATIVE AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1993-11-02 JP 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 ALDH1A1 596/4885MEN1 3576/4885KMT2A 880/4885

“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.