SCHEMBL7535322

SCHEMBL7535322

C[C](C)c1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.58
ACHE P22303 2/20 0.55
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KCNH2 Q12809 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
FAAH O00519 1/20 0.47
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4371423 0.84 PARP1 (0.58) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL1551882 0.83 FURIN (0.46) PARP1HDAC8HDAC6HPGDKMT2A
SCHEMBL16955311 0.82 PARP1 (0.56) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL10143068 0.80 PARP1 (0.54) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL76212 0.80 PARP1 (0.65) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL610252 0.80 PARP1 (0.54) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL29444189 0.80 PARP1 (0.54) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL9528530 0.80 PARP1 (0.54) PARP1ACHEHDAC8HDAC6SMN1; SMN2
SCHEMBL29639739 0.80 PARP1 (0.65) PARP1HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL11787753 0.78 PARP1 (0.52) PARP1ACHEHDAC8HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1399632-A Pyrimidine derivative, process for producing the same, and pharmaceutical containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2003-02-26 CN claimed
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP claimed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-102822168-A Method for producing isoxazoline derivatives SYNGENTA PARTICIPATIONS AG 2012-12-12 CN disclosed
CN-102770419-A Dihydrofuran derivatives as pesticidal compounds SYNGENTA PARTICIPATIONS A G 2012-11-07 CN disclosed
CN-102762544-A Isoxazoline derivatives as insecticides SYNGENTA PARTICIPATIONS AG 2012-10-31 CN disclosed
CN-102639529-A Isoxazoline derivative-based pesticidal compounds SYNGENTA PARTICIPATIONS AG 2012-08-15 CN disclosed
CN-1170528-C Use of inhibitors of KQT1 channel for the production of medicaments for the treatment of helminth and ectoparasite-related diseases ���ĵ�˹ҩ��¹����޹�˾ 2004-10-13 CN disclosed
CN-1399632-A Pyrimidine derivative, process for producing the same, and pharmaceutical containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2003-02-26 CN disclosed
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP disclosed
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP disclosed
CN-1330540-A Utilization of inhibitors of KQT1 channel in order to produce medicament for treating diseases which are caused by parasitic helminths and actoparasites AVENTIS PHARMA GMBH (DE) 2002-01-09 CN disclosed
CN-1189830-A Substituted 1, 3-dioxan-5-ylamino-heterocyclic compounds, method for the production thereof and use thereof as pest control agents HOECHST SCHERING AGREVO GMBH (DE) 1998-08-05 CN 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 PARP1 1166/4885ACHE 4671/4885HDAC8 3395/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PARP1 1166/4885ACHE 4671/4885HDAC8 3395/4885

“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.