SCHEMBL516169

SCHEMBL516169

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
MAOA P21397 5/20 0.41
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GRM5 P41594 2/20 0.40
TSHR P16473 1/20 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
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 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
SCHEMBL515347 0.93 SRD5A1 (0.41) MAOBMAOABRD4SMN1; SMN2L3MBTL1
SCHEMBL515457 0.85 MAOB (0.43) MAOBMAOABRD4SMN1; SMN2L3MBTL1
SCHEMBL515854 0.84 MAOB (0.43) MAOBMAOASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL515937 0.84 MAOB (0.43) MAOBMAOASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL516265 0.78 TOP1 (0.49) MAOBMAOASMN1; SMN2L3MBTL1GRM5
SCHEMBL403344 0.77 MAOB (0.53) MAOBMAOABRD4SMN1; SMN2L3MBTL1
SCHEMBL10187560 0.76 FFAR1 (0.43) MAOBMAOABRD4GRM5S1PR1
SCHEMBL8901906 0.72 MAOB (0.56) MAOBMAOASMN1; SMN2L3MBTL1GRM5
Hydrochloric Acid SCHEMBL29763734 0.71 MAOB (0.55) MAOBMAOASMN1; SMN2L3MBTL1GRM5
Hydrochloric Acid SCHEMBL28293182 0.71 MAOB (0.55) MAOBMAOASMN1; SMN2L3MBTL1GRM5

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 MAOB 2064/4885MAOA 2359/4885BRD4 2341/4885

“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.