SCHEMBL13019869

SCHEMBL13019869

COc1cc(C#N)ccc1OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.55
SLC6A4 P31645 2/20 0.46
TRPV4 Q9HBA0 1/20 0.42
KDM1A O60341 1/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PDE5A O76074 1/20 0.39
ICMT O60725 2/20 0.38
SLC6A2 P23975 1/20 0.38
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL509522 0.85 AR (0.66) ARSLC6A4KDM1AUSP2MAPT
SCHEMBL29490258 0.85 AR (0.66) ARSLC6A4KDM1AUSP2MAPT
Ammonia Solution, Strong SCHEMBL3939793 0.80 AR (0.57) ARSLC6A4TRPV4KDM1AUSP2
SCHEMBL6162573 0.80 AR (0.47) ARSLC6A4TRPV4ALDH1A1LRRK2
SCHEMBL14805912 0.80 AR (0.55) ARSLC6A4TRPV4NR3C1PGR
SCHEMBL21501064 0.79 AR (0.60) ARSLC6A4KDM1AUSP2MAPT
SCHEMBL14805812 0.79 TRPV4 (0.42) ARSLC6A4TRPV4NR3C1PGR
SCHEMBL6165493 0.79 AR (0.40) ARSLC6A4TRPV4KDM1AMAPT
SCHEMBL8119447 0.78 AR (0.58) ARSLC6A4KDM1AUSP2MAPT
SCHEMBL12593793 0.77 AR (0.50) ARSLC6A4KDM1AUSP2KDM4E

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 AR 1946/4885SLC6A4 1912/4885TRPV4 503/4885

“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.