SCHEMBL515347

SCHEMBL515347

Cc1cc(OCc2ccccc2)cc(C)c1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
MAOB P27338 10/20 0.41
MAOA P21397 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GRM5 P41594 2/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL516169 0.93 MAOB (0.41) SRD5A1MAOBMAOAL3MBTL1GRM5
SCHEMBL515457 0.88 MAOB (0.43) SRD5A1MAOBMAOAL3MBTL1GRM5
SCHEMBL515854 0.84 MAOB (0.43) MAOBMAOAL3MBTL1GRM5NSD2
SCHEMBL515937 0.84 MAOB (0.43) MAOBMAOAL3MBTL1GRM5NSD2
SCHEMBL516265 0.78 TOP1 (0.49) MAOBMAOAL3MBTL1GRM5NSD2
SCHEMBL403344 0.77 MAOB (0.53) MAOBMAOAL3MBTL1GRM5NSD2
SCHEMBL16281728 0.76 FFAR1 (0.43) SRD5A1MAOBMAOAS1PR1S1PR5
SCHEMBL10187570 0.76 FFAR1 (0.43) SRD5A1MAOBMAOAS1PR1S1PR5
SCHEMBL8901906 0.72 MAOB (0.56) MAOBMAOAL3MBTL1GRM5RAB9A
Hydrochloric Acid SCHEMBL29763734 0.71 MAOB (0.55) MAOBMAOAL3MBTL1GRM5PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
EP-2393769-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SRD5A1 1806/4885MAOB 2064/4885MAOA 2359/4885

“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.