SCHEMBL431075

SCHEMBL431075

CCc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.38
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
P2RX7 Q99572 2/20 0.33
KMT2A Q03164 2/20 0.33
PTGS2 P35354 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NOTUM Q6P988 4/20 0.32
CYP1A2 P05177 1/20 0.32
EPHX2 P34913 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
TSHR P16473 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 1.00 COMT (0.38) COMTPDE3BPDE3AP2RX7KMT2A
SCHEMBL432704 0.96 COMT (0.39) COMTPDE3BPDE3AP2RX7KMT2A
SCHEMBL13065688 0.88 S1PR1 (0.33) KMT2AMEN1ACACBACACA
SCHEMBL431335 0.88 S1PR1 (0.33) KMT2AMEN1ACACBACACA
SCHEMBL432210 0.87 ACACB (0.39) PTGS2ACACBACACA
SCHEMBL13065039 0.87 ACACB (0.39) PTGS2ACACBACACA
SCHEMBL6727363 0.85 PDE3B (0.35) COMTPDE3BPDE3AP2RX7CTSS
SCHEMBL18874238 0.85 PDE3B (0.35) COMTPDE3BPDE3AP2RX7CTSS
SCHEMBL431036 0.84 ACACB (0.35) KMT2AMEN1ALDH1A1L3MBTL1ACACB
SCHEMBL18971730 0.84 COMT (0.37) COMTPDE3BPDE3AP2RX7KMT2A

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
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 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-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.