SCHEMBL430165

SCHEMBL430165

Cc1cc(-c2ccccc2)cc(C)c1C1=C(O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP26A1 O43174 1/20 0.30
TYMS P04818 1/20 0.30

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
SCHEMBL6727345 0.81 L3MBTL1 (0.39) CNR1CNR2MAOAMAOBL3MBTL1
SCHEMBL18874119 0.81 L3MBTL1 (0.39) CNR1CNR2MAOAMAOBL3MBTL1
SCHEMBL12115775 0.76 BRD4 (0.34) CNR1CNR2MAOAMAOBBRD4
SCHEMBL18971534 0.76 BRD4 (0.34) CNR1CNR2MAOAMAOBBRD4
SCHEMBL13064909 0.74 MAOA (0.34) CNR1CNR2MAOAMAOB
SCHEMBL447999 0.71 POLB (0.40) POLBCNR1CNR2L3MBTL1BRD4
SCHEMBL449795 0.71 POLB (0.40) POLBCNR1CNR2L3MBTL1BRD4
SCHEMBL10246775 0.69 MAOA (0.35) POLBCNR1CNR2MAOAMAOB
SCHEMBL18874243 0.69 L3MBTL1 (0.35) CNR1CNR2MAOAMAOBL3MBTL1
SCHEMBL6727555 0.69 L3MBTL1 (0.35) CNR1CNR2MAOAMAOBL3MBTL1

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
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
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 POLB 4374/4885CNR1 935/4885CNR2 1209/4885

“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.