SCHEMBL4765049

SCHEMBL4765049

Cc1nc(OC2CCCC2)ncc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
HSP90AA1 P07900 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 1/20 0.37
ACACB O00763 5/20 0.37
KMT2A Q03164 2/20 0.36
CDK2 P24941 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
HTT P42858 1/20 0.36
CDK4 P11802 1/20 0.35
CDK7 P50613 1/20 0.35

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
SCHEMBL4767772 0.99 HPGD (0.44) HPGDHSP90AA1KDM4ESMN1; SMN2NPC1
SCHEMBL4771226 0.83 CSNK1D (0.48) HSP90AA1KDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL4765987 0.82 CSNK1D (0.47) HSP90AA1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL1013091 0.77 MAOB (0.37) HPGDMAOBKMT2ACDK2CCNB2
SCHEMBL4766062 0.77 HPGD (0.45) HPGDKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL4763537 0.76 HPGD (0.54) HPGDKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL4763368 0.75 CSNK1D (0.35) HSP90AA1KDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL841376 0.74 HCAR3 (0.45) KDM4EALDH1A1ACACBKMT2ACDK2
SCHEMBL4762424 0.74 CSNK1D (0.35) HSP90AA1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL31750647 0.73 GABRP (0.47) MAOBACACBKMT2ACDK2CCNB2

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 2507/4885KDM4E 1056/4885

“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.