SCHEMBL9055041

SCHEMBL9055041

C=C(CCl)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
GRIN2B Q13224 2/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNK3 O14649 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
SCHEMBL28604413 0.83 PARP1 (0.48) PARP1MAOAMAOBERCC5FEN1
SCHEMBL21783054 0.82 PARP1 (0.47) PARP1MAOAMAOBERCC5FEN1
SCHEMBL2015776 0.82 MAOA (0.48) PARP1MAOAMAOBERCC5FEN1
SCHEMBL2662195 0.80 PARP1 (0.46) PARP1MAOAMAOBERCC5FEN1
SCHEMBL11225682 0.79 PARP1 (0.44) PARP1MAOAMAOBERCC5FEN1
SCHEMBL20247744 0.79 MAOA (0.46) PARP1MAOAMAOBERCC5FEN1
SCHEMBL17868848 0.79 PARP1 (0.44) PARP1MAOAMAOBERCC5FEN1
SCHEMBL1794480 0.78 PARP1 (0.56) PARP1ERCC5FEN1GRIN2BHTT
SCHEMBL9845816 0.78 PARP1 (0.47) PARP1HTTMAPTHPGDRAB9A
SCHEMBL9843296 0.78 CES2 (0.50) PARP1MAOAMAOBGRIN2BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484535-B Method for preparing indanthrone 河北科技大学 2021-08-10 CN claimed
JP-5125000-A None JP disclosed
JP-5320088-A None JP disclosed
CN-108484535-B Method for preparing indanthrone 河北科技大学 2021-08-10 CN 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-1505155-B1 CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORP (JP) 2008-12-03 EP disclosed
EP-0562361-B1 Indane-1, 3-dione derivatives and herbicides containing them as active ingredient MITSUBISHI CHEM CORP (JP) 1996-01-10 EP disclosed
US-5369085-A Effective against grasses in agricultural crops MITSUBISHI KASEI CORPORATION (JP) 1994-11-29 US disclosed
JP-H05320088-A INDAN-1, 3-DIONE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORP 1993-12-03 JP disclosed
EP-0562361-A1 Indane-1, 3-dione derivatives and herbicides containing them as active ingredient Mitsubishi Chemical Corporation (JP) 1993-09-29 EP disclosed
EP-0398258-B1 INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1993-08-04 EP disclosed
JP-H05125000-A METHOD FOR PRODUCING ALPHA-CHLOROMETHLSTYRENE DERIVATIVE MITSUBISHI KASEI CORP 1993-05-21 JP disclosed
US-5110342-A INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1992-05-05 US disclosed
US-5076830-A INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1991-12-31 US disclosed
EP-0398258-A1 Indan-1,3-dione derivative and herbicidal composition containing the same as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1990-11-22 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 PARP1 4724/4885MAOA 2664/4885MAOB 2435/4885

“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.