SCHEMBL4559121

SCHEMBL4559121

OC(c1ccccc1)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
SIGMAR1 Q99720 4/20 0.35
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.33
GBA1 P04062 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL7639864 0.81 HTR2A (0.35) SIGMAR1HTR6HTR2ATSHR
SCHEMBL5702757 0.81 SIGMAR1 (0.36) SIGMAR1HTR6HTR2ATSHR
SCHEMBL9779213 0.81 SIGMAR1 (0.36) SIGMAR1HTR6HTR2ATSHR
SCHEMBL6055183 0.79 SIGMAR1 (0.37) SIGMAR1HTR6HTR2ALMNAKDM4E
SCHEMBL27484012 0.78 HTR6 (0.33) SIGMAR1HTR6HTR2A
SCHEMBL30084537 0.78 SIGMAR1 (0.38) SIGMAR1HTR6HTR2ALMNAKDM4E
SCHEMBL27515506 0.78 HTR2A (0.37) SIGMAR1HTR6HTR2ALMNAKDM4E
SCHEMBL27261195 0.77 HTR2A (0.35) SIGMAR1HTR6HTR2A
SCHEMBL29288263 0.75 HTR6 (0.32) SIGMAR1HTR6HTR2A
Hydrochloric Acid SCHEMBL30216611 0.75 HTR2A (0.36) SIGMAR1HTR6HTR2ALMNAKDM4E

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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 EPHX1 1284/4885SIGMAR1 4045/4885HTR6 4619/4885

“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.