SCHEMBL14850367

SCHEMBL14850367

CCC(C)COc1cc(OC(F)(F)F)ccc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.37
PDE2A O00408 2/20 0.36
TLR8 Q9NR97 1/20 0.36
ELANE P08246 1/20 0.34
CCR6 P51684 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR1 O14842 1/20 0.33
MCHR1 Q99705 1/20 0.33
P2RY1 P47900 1/20 0.33
GPR3 P46089 1/20 0.33
HSP90AB1 P08238 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL14850079 0.88 SCN4A (0.36) CRHR1PDE2ACCR6P2RY1GPR3
SCHEMBL14850377 0.86 MAPT (0.41) CRHR1L3MBTL1MCHR1P2RY1HSP90AB1
SCHEMBL14850378 0.86 CRHR1 (0.37) CRHR1PDE2ACCR6L3MBTL1P2RY1
SCHEMBL17354117 0.80 PPARA (0.41) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL14850082 0.80 MAOB (0.35) PDE2ACCR6P2RY1GPR3HSP90AB1
SCHEMBL14850373 0.80 TDP1 (0.40) PDE2ATLR8CCR6L3MBTL1FFAR1
SCHEMBL14850080 0.79 KMT2A (0.42) L3MBTL1HSP90AB1
SCHEMBL14850390 0.78 PPARD (0.35) PDE2AL3MBTL1MCHR1P2RY1GPR3
SCHEMBL14850379 0.78 PPARD (0.35) CRHR1PDE2AL3MBTL1MCHR1P2RY1
SCHEMBL21649317 0.78 FFAR1 (0.47) PDE2AL3MBTL1FFAR1HRH3

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-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CRHR1 4342/4885PDE2A 1621/4885TLR8 444/4885

“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.