SCHEMBL4105404

SCHEMBL4105404

Oc1ncc2ccccc2c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
GPR3 P46089 1/20 0.42
CYP1A2 P05177 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
ULK1 O75385 1/20 0.37
CNR2 P34972 3/20 0.35
HPGD P15428 2/20 0.35
ERN1 O75460 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNF P01375 1/20 0.33
CXCL8 P10145 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL12526215 0.78 GPR3 (0.42) KDM4EGPR3CYP1A2TRPM8ULK1
SCHEMBL15611267 0.78 KDM4E (0.42) KDM4EGPR3CYP1A2TRPM8ULK1
SCHEMBL30901299 0.78 KDM4E (0.42) KDM4EGPR3CYP1A2TRPM8ULK1
SCHEMBL30901296 0.78 KDM4E (0.42) KDM4EGPR3TRPM8ULK1CNR2
SCHEMBL21954998 0.78 KDM4E (0.42) KDM4EGPR3TRPM8ULK1CNR2
SCHEMBL2747465 0.76 KDM4E (0.48) KDM4EGPR3CYP1A2ERN1MAPKAPK2
SCHEMBL22037342 0.75 KDM4E (0.40) KDM4EGPR3CYP1A2TRPM8ULK1
SCHEMBL30790223 0.74 KDM4E (0.50) KDM4EGPR3CYP1A2MAPKAPK2ALDH1A1
SCHEMBL9125784 0.74 KDM4E (0.50) KDM4EGPR3CYP1A2MAPKAPK2ALDH1A1
SCHEMBL24390567 0.74 KDM4E (0.39) KDM4EGPR3CYP1A2TRPM8ULK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227469-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2012-07-24 US disclosed
US-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-08-06 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-20090197879-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 KDM4E 4114/4885GPR3 42/4885CYP1A2 2153/4885

“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.