SCHEMBL432564

SCHEMBL432564

CCc1ccc(-c2ccc(Cl)nc2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
PIK3CA P42336 2/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ERN1 O75460 1/20 0.33
PIK3CD O00329 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CTSK P43235 1/20 0.30
CTSC P53634 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
SCHEMBL432708 0.97 PIK3CA (0.35) CHRNB2CHRNA3CHRNA7PIK3CAPDK1
SCHEMBL431036 0.87 ACACB (0.35)
SCHEMBL13065688 0.86 S1PR1 (0.33)
SCHEMBL431335 0.86 S1PR1 (0.33)
SCHEMBL6727328 0.86 PIK3CA (0.33) PIK3CAPDK1PDK2PDK3PDK4
SCHEMBL18874134 0.86 PIK3CA (0.33) PIK3CAPDK1PDK2PDK3PDK4
SCHEMBL430205 0.86 STK10 (0.32)
SCHEMBL432210 0.83 ACACB (0.39)
SCHEMBL13065039 0.83 ACACB (0.39)
SCHEMBL12116025 0.83 PIK3CA (0.35) PIK3CAPDK1PDK2PDK3PDK4

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 CHRNB2 1975/4885CHRNA3 1887/4885CHRNA7 2136/4885

“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.