SCHEMBL3769697

SCHEMBL3769697

CC/C=C/CCCCOc1cccc(NC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.40
FAAH O00519 2/20 0.40
EPHX2 P34913 2/20 0.40
CNR1 P21554 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMPD1 P17405 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3658271 1.00 APP (0.46) APPTHRBTSHRFAAHEPHX2
SCHEMBL3660577 0.96 APP (0.47) APPTHRBTSHRFAAHEPHX2
SCHEMBL3660575 0.96 APP (0.47) APPTHRBTSHRFAAHEPHX2
SCHEMBL3657457 0.91 APP (0.48) APPTHRBTSHRFAAHEPHX2
SCHEMBL3657456 0.91 APP (0.48) APPTHRBTSHRFAAHEPHX2
SCHEMBL28362681 0.90 TSHR (0.52) APPTHRBTSHRFAAHEPHX2
SCHEMBL28362683 0.90 TSHR (0.52) APPTHRBTSHRFAAHEPHX2
Hydrochloric Acid SCHEMBL28362704 0.89 TSHR (0.51) APPTHRBTSHRFAAHEPHX2
Hydrochloric Acid SCHEMBL28362695 0.89 TSHR (0.51) APPTHRBTSHRFAAHEPHX2
SCHEMBL3661810 0.87 APP (0.47) APPTHRBTSHRFAAHNR1H4

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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 APP 2380/4885THRB 2450/4885TSHR 811/4885

“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.