SCHEMBL432704

SCHEMBL432704

CCc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.39
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KMT2A Q03164 2/20 0.34
P2RX7 Q99572 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NOTUM Q6P988 4/20 0.33
CYP1A2 P05177 1/20 0.33
EPHX2 P34913 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
PTGS2 P35354 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
SCHEMBL13065038 0.96 COMT (0.38) COMTPDE3BPDE3AKMT2AP2RX7
SCHEMBL431075 0.96 COMT (0.38) COMTPDE3BPDE3AKMT2AP2RX7
SCHEMBL18874238 0.87 PDE3B (0.35) COMTPDE3BPDE3AP2RX7CTSS
SCHEMBL6727363 0.87 PDE3B (0.35) COMTPDE3BPDE3AP2RX7CTSS
SCHEMBL432196 0.87 S1PR1 (0.34) KMT2AMEN1S1PR1ACACBACACA
SCHEMBL431058 0.86 ACACB (0.40) ACACBACACAPTGS2
SCHEMBL431046 0.84 EDNRB (0.38) ACACBACACA
SCHEMBL12115905 0.84 COMT (0.37) COMTPDE3BPDE3AKMT2AP2RX7
SCHEMBL18971730 0.84 COMT (0.37) COMTPDE3BPDE3AKMT2AP2RX7
SCHEMBL431335 0.83 S1PR1 (0.33) KMT2AMEN1S1PR1ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 COMT 835/4885PDE3B 2068/4885PDE3A 1842/4885

“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.