SCHEMBL4417889

SCHEMBL4417889

CCOC(=O)/C=C/c1ccc(OCc2ccccc2)c2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.50
RXRB P28702 6/20 0.50
RXRG P48443 6/20 0.50
HDAC8 Q9BY41 1/20 0.47
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGER4 P35408 4/20 0.44
PTGER2 P43116 4/20 0.44
PTGER1 P34995 3/20 0.44
PTGER3 P43115 3/20 0.44
FFAR4 Q5NUL3 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL4417893 1.00 RXRA (0.50) RXRARXRBRXRGHDAC8LTB4R
SCHEMBL20080055 0.84 HDAC8 (0.45) HDAC8LTB4RLTB4R2LMNAKDM4E
SCHEMBL15668889 0.82 HDAC8 (0.52) HDAC8LTB4RLTB4R2LMNAKDM4E
SCHEMBL15668890 0.82 HDAC8 (0.52) HDAC8LTB4RLTB4R2LMNAKDM4E
SCHEMBL12035685 0.82 FDPS (0.50) KDM4EAKR1B10AKR1B1
SCHEMBL3371640 0.81 RXRA (0.49) RXRARXRBRXRGLMNAKDM4E
SCHEMBL9857590 0.81 PTGER1 (0.67) HDAC8LMNAKDM4EPTGER4PTGER2
SCHEMBL4465983 0.81 HDAC8 (0.58) HDAC8LTB4RLTB4R2LMNAKDM4E
SCHEMBL29191491 0.81 PTGER4 (0.53) HDAC8LTB4RLTB4R2LMNAKDM4E
SCHEMBL4465980 0.81 HDAC8 (0.58) HDAC8LTB4RLTB4R2LMNAKDM4E

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 RXRA 17/4885RXRB 16/4885RXRG 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.