SCHEMBL3554452

SCHEMBL3554452

C=CCOc1cc[c]cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LIG1 P18858 1/20 0.31
CYP2D6 P10635 2/20 0.31
SLC22A1 O15245 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 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
SCHEMBL3464239 0.85 HPGD (0.39) TSHRHPGDMAPK1HSD17B10KDM4E
SCHEMBL621959 0.79 EPHX2 (0.33)
SCHEMBL3971417 0.79 KDM4E (0.46) HPGDHSD17B10KDM4ECYP2D6SLC22A1
SCHEMBL16957836 0.79 L3MBTL1 (0.35) HPGDKDM4ECYP2D6CYP1A2GAA
SCHEMBL3543505 0.78 HPGD (0.47) TSHRHPGDMAPK1HSD17B10KDM4E
SCHEMBL16395176 0.77 HTR2C (0.38) TSHRHPGDMAPK1HSD17B10LIG1
SCHEMBL16395320 0.77 HTR2C (0.38) TSHRHPGDMAPK1HSD17B10LIG1
SCHEMBL17046285 0.76 MAPT (0.33) HSD17B10KDM4EMEN1HTTKMT2A
SCHEMBL7688247 0.76 KDM4E (0.42) HPGDHSD17B10KDM4ECYP2D6MEN1
SCHEMBL21268435 0.75 AR (0.34) HPGDHSD17B10KDM4EHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US claimed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE TSHR 3540/4885HPGD 688/4885MAPK1 3387/4885

“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.