SCHEMBL6827015

SCHEMBL6827015

C=CCCC(C#N)(C#N)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
DRD1 P21728 1/20 0.33
HTT P42858 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CCR6 P51684 1/20 0.32
ATM Q13315 1/20 0.32
ACACB O00763 1/20 0.32
DAO P14920 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL6839986 0.86 POLB (0.38) LMNAKMT2ASMN1; SMN2TP53RAB9A
SCHEMBL6839317 0.84 PTGES2 (0.32)
SCHEMBL6841775 0.82 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL6827098 0.81
SCHEMBL6824720 0.80 ALDH1A1 (0.40) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6824683 0.80 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL6826925 0.79 NQO1 (0.40) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6839905 0.77 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6841797 0.77 ESR1 (0.39) ALDH1A1DAO
SCHEMBL6825146 0.76 LOXL2 (0.40) SMN1; SMN2NPC1RAB9AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 WO 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-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 LMNA 1185/4885MEN1 1142/4885KMT2A 3427/4885

“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.