SCHEMBL405747

SCHEMBL405747

CCc1ccc(Oc2ccc(Cl)cc2)cc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LTA4H P09960 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PPARG P37231 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL407384 0.85 MAOA (0.36) MAOAMAOBHTR2ASLC6A4KCNH2
SCHEMBL419311 0.82 HTR2A (0.36) MAOAMAOBHTR2ASLC6A4KCNH2
SCHEMBL18874001 0.77 TAAR1 (0.41) TAAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6727873 0.77 TAAR1 (0.41) TAAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2121466 0.76 MAPK1 (0.36) MAPT
SCHEMBL407762 0.76 MAPK1 (0.36) MAPT
SCHEMBL19070661 0.75 MAOA (0.34) MAOAMAOBHTR2ASLC6A4KCNH2
SCHEMBL10196000 0.75 MAOA (0.34) MAOAMAOBHTR2ASLC6A4KCNH2
SCHEMBL416156 0.75 MMP14 (0.36) MAOAMAOBHTR2ASLC6A4KCNH2
SCHEMBL10187595 0.73 ELANE (0.33) MAOAMAOBHTR2ASLC6A4KCNH2

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-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAOA 2359/4885MAOB 2064/4885HTR2A 1320/4885

“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.