SCHEMBL471738

SCHEMBL471738

CCc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1/C1=C(\O)CC2CCC(CC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.37
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
EPHX2 P34913 1/20 0.35
P2RX7 Q99572 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 5/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 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
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SLC22A12 Q96S37 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
SCHEMBL10244074 0.87 PGR (0.36) PDE3BPDE3AACACBACACA
SCHEMBL12119163 0.84 COMT (0.40) COMTPDE3BPDE3AP2RX7NOTUM
SCHEMBL468935 0.84 ACACB (0.36) KMT2AMEN1ALDH1A1MAPTACACB
SCHEMBL10244015 0.82 CYP11B1 (0.31) ACACBACACA
SCHEMBL471015 0.82 CHEK1 (0.36) L3MBTL1ALDH1A1LMNAMAPTACACB
SCHEMBL471731 0.82 CYP11B1 (0.31) ACACBACACA
SCHEMBL11940717 0.82 COMT (0.39) COMTPDE3BPDE3ANOTUMCTSS
SCHEMBL468909 0.82 ACACB (0.31) ACACBACACA
SCHEMBL10246765 0.82 HSD17B1 (0.34)
SCHEMBL11940701 0.80 ALDH1A1 (0.42) COMTPDE3BPDE3ANOTUMCTSS

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 1 patent. 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

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.