SCHEMBL13603899

SCHEMBL13603899

C=C(CC)COc1ccc(C)nc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MAPT P10636 7/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GLA P06280 1/20 0.60
POLB P06746 1/20 0.60
HTT P42858 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 3/20 0.57
ALOX12 P18054 1/20 0.57
RAB9A P51151 8/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
S1PR4 O95977 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.54
NOD2 Q9HC29 1/20 0.54
HPGD P15428 1/20 0.53
NCOA1 Q15788 1/20 0.53

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
SCHEMBL16900169 0.81 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7011056 0.81 NPC1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8790468 0.75 NPC1 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL18952487 0.73 S1PR4 (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL3024027 0.73 S1PR4 (0.64) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL187354 0.73 NPC1 (0.64) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18952532 0.71 NPC1 (0.58) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL30253292 0.68 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3072548 0.68 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13603749 0.68 PTGS2 (0.53) ALDH1A1MAPTMEN1KMT2APOLB

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
US-7638514-B2 Agriculture SYNGENTA CROP PROTECTION, INC. (US) 2009-12-29 US disclosed
US-7638514-B2 Agriculture SYNGENTA CROP PROTECTION, INC. (US) 2009-12-29 US disclosed
US-20070142229-A1 Pesticidally active phenol derivatives SYNGENTA CROP PROTECTION, INC. 2007-06-21 US disclosed
US-20070142229-A1 Pesticidally active phenol derivatives SYNGENTA CROP PROTECTION, INC. 2007-06-21 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 (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-20070142229-A1 Pesticidally active phenol derivatives DDT, QSOX1, CHRM1 ALDH1A1 2993/4885MAPT 2257/4885MEN1 1465/4885

“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.