SCHEMBL4556613

SCHEMBL4556613

C=CC(=O)C1(c2cccc(OC)c2OC)CNCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
NFE2L2 Q16236 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TXNRD1 Q16881 1/20 0.32

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
SCHEMBL7121045 0.65 TXNRD1 (0.41) NFE2L2SIGMAR1KDM4ELMNAKMT2A
Acrylic Acid SCHEMBL29034262 0.64 NFE2L2 (0.53) NFE2L2KDM4ELMNAHPGDKMT2A
SCHEMBL5385849 0.64 HDAC4 (0.37) HPGD
SCHEMBL5380407 0.64 HDAC4 (0.39)
Acrylic Acid SCHEMBL29034269 0.63 NFE2L2 (0.51) NFE2L2KDM4ELMNAHPGDKMT2A
SCHEMBL29034273 0.63 NFE2L2 (0.51) NFE2L2KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL4076354 0.63 SIGMAR1 (0.49) NFE2L2SIGMAR1SMN1; SMN2CYP2D6PDE4B
SCHEMBL19987657 0.62 ALDH1A1 (0.30)
SCHEMBL28556152 0.62 NFE2L2 (0.50) NFE2L2KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL20508124 0.61 SLC6A2 (0.33)

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-20090209605-A1 NEMATICIDAL COMPOSITIONS DEVGEN N.V. (BE) 2009-08-20 US disclosed
US-20080146445-A1 Nematicidal Compositions DEVGEN NV (BE) 2008-06-19 US disclosed
US-6710017-B2 Compositions and methods for controlling algae in recirculating water systems AVECIA, INC. 2004-03-23 US 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-20090209605-A1 NEMATICIDAL COMPOSITIONS ACHE, DNPH1, NANP NPC1 652/4885RAB9A 1840/4885NFE2L2 3055/4885
US-20080146445-A1 Nematicidal Compositions ACHE, DNPH1, NANP NPC1 652/4885RAB9A 1840/4885NFE2L2 3055/4885

“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.