SCHEMBL2997372

SCHEMBL2997372

CC(C)Oc1ccc(OBOc2ccc(OC(C)C)c(OC(F)(F)F)c2)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
GRM7 Q14831 1/20 0.34
TACR1 P25103 1/20 0.34
PDE2A O00408 3/20 0.33
SLC7A5 Q01650 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SLC6A4 P31645 2/20 0.31
PDK2 Q15119 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTPN5 P54829 1/20 0.31
CSNK2A1 P68400 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
HCRTR1 O43613 3/20 0.30
HCRTR2 O43614 3/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL2575428 0.77 KCNQ3 (0.36) CSNK2A1
SCHEMBL16961538 0.77 KCNK3 (0.42) KCNK3KCNK9PDE2ARXRARXRB
SCHEMBL3007597 0.76 SLC6A4 (0.44) KCNK3KCNK9PDE2ASLC6A4
SCHEMBL16961537 0.76 KCNK3 (0.41) KCNK3KCNK9GRM7TACR1PDE2A
SCHEMBL4010865 0.75 TDP1 (0.36) CSNK2A1
SCHEMBL14237421 0.75 EPHX2 (0.46) PDE2ASLC7A5GPR3
SCHEMBL3010348 0.73 NOTUM (0.40) GPR3
SCHEMBL3409619 0.73 SCN9A (0.41)
SCHEMBL4012282 0.73 CSNK2A1 (0.51) CSNK2A1
SCHEMBL25025647 0.72 KCNK3 (0.41) KCNK3KCNK9PDK2PTPN5PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 US disclosed
EP-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO 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 (2 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 KCNK3 3174/4885KCNK9 3822/4885GRM7 2908/4885
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 KCNK3 2803/4885KCNK9 3668/4885GRM7 2221/4885

“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.