SCHEMBL449520

SCHEMBL449520

CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)C(c3c(C)cc(C)cc3C)C(=O)[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
GAPDH P04406 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL449291 1.00 ALDH1A1 (0.36) ALDH1A1GAANPSR1MEN1KMT2A
SCHEMBL449517 0.79 LMNA (0.37) ALDH1A1GAANPSR1MAPTHTT
SCHEMBL2121260 0.71 TDP1 (0.32) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL432529 0.71 ALDH1A1 (0.33) ALDH1A1GAANPSR1MEN1KMT2A
SCHEMBL449604 0.68 SMN1; SMN2 (0.42) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL449518 0.68 SMN1; SMN2 (0.42) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL2122883 0.67 L3MBTL1 (0.40) ALDH1A1MEN1KMT2AMAPTGAPDH
SCHEMBL15839585 0.63 SLC6A3 (0.31) ALDH1A1MEN1KMT2AGAPDHPOLB
SCHEMBL17734409 0.63 PBRM1 (0.30)
SCHEMBL431297 0.63 GRIN2D (0.34) ALDH1A1GAATSHRMAPTHSD17B10

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
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885GAA 478/4885NPSR1 1600/4885

“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.