SCHEMBL469131

SCHEMBL469131

CC(C)=C1C2C=CC(c3ccccc3[N+](=O)[O-])C12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ABCC4 O15439 1/20 0.40
PLIN1 O60240 1/20 0.40
CACNA1F O60840 1/20 0.40
GMNN O75496 1/20 0.40
KCNK2 O95069 1/20 0.40
ABCB11 O95342 1/20 0.40
GSR P00390 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL9833159 0.71 ALDH1A1 (0.41) CUL4AKDM4EMAPTALDH1A1KMT2A
SCHEMBL437174 0.70 TDP1 (0.41) CUL4AKDM4EMAPTALDH1A1KMT2A
SCHEMBL6982116 0.69 TDP1 (0.40) KDM4EMAPTKMT2ALMNAHSD17B10
Methyl Alcohol SCHEMBL27808930 0.66 HSD17B10 (0.65) ALDH1A1KMT2AHSD17B10SMN1; SMN2TDP1
SCHEMBL11451918 0.65 GPR35 (0.50) CUL4AKDM4EMAPTALDH1A1KMT2A
SCHEMBL11451916 0.65 GPR35 (0.50) CUL4AKDM4EMAPTALDH1A1KMT2A
SCHEMBL17440889 0.65 KMT2A (0.41) CUL4AKDM4EMAPTALDH1A1KMT2A
SCHEMBL29930744 0.65 CUL4A (0.43) CUL4AKDM4EMAPTALDH1A1KMT2A
Acetic Acid SCHEMBL27721273 0.65 HSD17B10 (0.58) MAPTALDH1A1KMT2AHSD17B10TDP1
SCHEMBL3253975 0.64 HSD17B10 (0.47) CUL4AKDM4EMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065239-A1 PROCESS FOR THE PRODUCTION OF AMIDES SYNGENTA LIMITED (GB) 2012-03-15 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-20120065239-A1 PROCESS FOR THE PRODUCTION OF AMIDES CFH, C5, CFB CUL4A 3080/4885KDM4E 3115/4885MAPT 4862/4885

“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.