SCHEMBL4424009

SCHEMBL4424009

CCOC(=O)CCc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)c2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.40
GSTP1 P09211 1/20 0.37
RXRG P48443 3/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAOB P27338 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
DPP4 P27487 1/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR2 O15552 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL4417675 0.90 FFAR1 (0.42) RXRGRXRARXRBFFAR4PPARD
SCHEMBL4430360 0.87 PPARG (0.41) GSTP1FOSJUNNFKB1NFKB2
SCHEMBL1550193 0.85 TP53 (0.45) GSTP1MAOBFFAR4PPARDPPARA
SCHEMBL1550166 0.85 PPARD (0.49) GSTP1MAOBFFAR4PPARDPPARA
SCHEMBL4417761 0.81 TRPM2 (0.43) TRPM2GSTP1RXRGRXRARXRB
SCHEMBL1550099 0.79 GSTP1 (0.41) GSTP1FOSJUNNFKB1NFKB2
SCHEMBL1549554 0.77 FFAR4 (0.46) FFAR4PPARDPPARAFFAR1FFAR2
SCHEMBL4427558 0.76 FFAR4 (0.49) FFAR4PPARDPPARAFFAR1FFAR2
SCHEMBL1549165 0.76 PPARD (0.59) GSTP1FFAR4PPARDPPARAFFAR1
SCHEMBL4421601 0.76 TRPM2 (0.43) TRPM2RXRGRXRARXRBPPARD

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-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG TRPM2 1715/4885GSTP1 2275/4885RXRG 13/4885

“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.