SCHEMBL2840795

SCHEMBL2840795

CCOc1ccc(CCC(=O)O)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.55
FFAR1 O14842 3/20 0.54
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.50
APP P05067 1/20 0.50
MEN1 O00255 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CALM1 P0DP23 2/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL3673329 0.92 FFAR4 (0.61) FFAR4FFAR1L3MBTL1KMT2AAPP
SCHEMBL3690496 0.92 CALM1 (0.60) FFAR4FFAR1KMT2AAPPMEN1
SCHEMBL7995941 0.91 FFAR4 (0.60) FFAR4FFAR1L3MBTL1KMT2AAPP
SCHEMBL6582446 0.90 FFAR4 (0.71) FFAR4FFAR1LMNAKMT2AAPP
SCHEMBL27773869 0.89 PPARA (0.50) GAAKMT2AAPPMEN1ALDH1A1
SCHEMBL5685599 0.89 FFAR4 (0.46) FFAR4FFAR1GAAL3MBTL1LMNA
SCHEMBL8984885 0.89 FFAR4 (0.54) FFAR4FFAR1L3MBTL1LMNA
SCHEMBL3667217 0.87 LMNA (0.65) FFAR4FFAR1L3MBTL1LMNAHDAC1
SCHEMBL6583668 0.87 ALOX5 (0.54) FFAR4FFAR1GAAL3MBTL1LMNA
SCHEMBL21359040 0.86 FFAR4 (0.51) FFAR4FFAR1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668742-B Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD 2014-04-30 CN disclosed
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
CN-101668742-A Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD 2010-03-10 CN disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 WO disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20050107432-A1 Sigma receptor binder containing indanone derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-05-19 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 (3 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 FFAR4 107/4885FFAR1 74/4885GAA 691/4885
US-20050107432-A1 Sigma receptor binder containing indanone derivative SIGMAR1, OPRK1, TMEM97 FFAR4 211/4885FFAR1 74/4885GAA 4761/4885
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A FFAR4 3172/4885FFAR1 2731/4885GAA 3088/4885

“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.