SCHEMBL13019667

SCHEMBL13019667

CC(C)Cc1cc(O)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
AR P10275 3/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TYR P14679 2/20 0.35
MIF P14174 1/20 0.35
CA9 Q16790 1/20 0.35
CYP19A1 P11511 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL17229291 0.80 MAOA (0.40) MAOAMAOBTSHRMAPK1AR
SCHEMBL2134478 0.79 CA9 (0.41) ESR1ESR2ARTYRMIF
SCHEMBL18419802 0.79 NOS2 (0.51) NOS3NOS1NOS2
SCHEMBL12021472 0.79 MAOA (0.39) MAOAMAOBAR
SCHEMBL9734205 0.77 GABRA1 (0.50) GABRA1GABRB2ESR1ESR2TYR
SCHEMBL14012452 0.76 GAA (0.49) MAOBARNOS2
SCHEMBL5877825 0.75 GABRA1 (0.68) GABRA1GABRB2ESR1MAOAMAOB
SCHEMBL28833502 0.74 TYR (0.56) ESR1ESR2TSHRTYR
SCHEMBL2659054 0.73 GABRA1 (0.47) GABRA1GABRB2MAOBTSHRCYP19A1
SCHEMBL4187049 0.73 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2TSHR

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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 GABRA1 403/4885GABRB2 466/4885ESR1 3081/4885

“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.