SCHEMBL4767772

SCHEMBL4767772

Cc1nc(OC2CCCCC2)ncc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HSP90AA1 P07900 2/20 0.39
MAOB P27338 1/20 0.39
CDK2 P24941 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
CDK4 P11802 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
ACACB O00763 3/20 0.36

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
SCHEMBL4765049 0.99 HPGD (0.45) HPGDHSP90AA1MAOBCDK2CCNB2
SCHEMBL4765987 0.84 CSNK1D (0.47) HSP90AA1MAOBKDM4ENPC1ALDH1A1
SCHEMBL4771226 0.82 CSNK1D (0.48) HSP90AA1MAOBSMN1; SMN2KDM4ENPC1
SCHEMBL4762424 0.76 CSNK1D (0.35) HSP90AA1MAOBKDM4ENPC1ALDH1A1
SCHEMBL4766062 0.75 HPGD (0.45) HPGDSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL1013091 0.75 MAOB (0.37) HPGDMAOBCDK2CCNB2CCNE2
SCHEMBL4763537 0.75 HPGD (0.54) HPGDSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL4763368 0.74 CSNK1D (0.35) HSP90AA1MAOBSMN1; SMN2KDM4ENPC1
SCHEMBL841376 0.73 HCAR3 (0.45) CDK2CCNB2CCNE2CDK1CCNB1
SCHEMBL31750647 0.72 GABRP (0.47) MAOBCDK2CCNB2CCNE2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM HPGD 3438/4885HSP90AA1 2507/4885MAOB 2460/4885

“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.