SCHEMBL3673329

SCHEMBL3673329

CCOc1cc(CCC(=O)O)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.61
FFAR1 O14842 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
APP P05067 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CALM1 P0DP23 3/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TSHR P16473 1/20 0.51
PLA2G4A P47712 1/20 0.50

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
SCHEMBL7995941 0.98 FFAR4 (0.60) FFAR4FFAR1L3MBTL1APPMEN1
SCHEMBL3690496 0.94 CALM1 (0.60) FFAR4FFAR1APPMEN1KMT2A
SCHEMBL2840795 0.92 FFAR4 (0.55) FFAR4FFAR1L3MBTL1APPMEN1
SCHEMBL28323456 0.91 L3MBTL1 (0.54) FFAR4FFAR1L3MBTL1APPMEN1
SCHEMBL347209 0.89 FFAR4 (0.61) FFAR4FFAR1MEN1KMT2APLA2G4A
SCHEMBL8501979 0.88 MAPK1 (0.54) L3MBTL1APPMEN1KMT2ACALM1
SCHEMBL5607847 0.88 CALM1 (0.56) L3MBTL1APPCALM1HDAC1HDAC2
Hydrochloric Acid SCHEMBL3225386 0.87 FFAR4 (0.59) FFAR4FFAR1MEN1KMT2APLA2G4A
SCHEMBL21494459 0.87 PDE4D (0.59) L3MBTL1MEN1KMT2ACALM1HDAC1
SCHEMBL4426911 0.85 CDK8 (0.55) L3MBTL1APPMEN1KMT2ACALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 US disclosed
EP-1781303-A4 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX INC (US) 2008-07-02 EP disclosed
EP-1781303-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS CombinatoRx, Incorporated (US) 2007-05-09 EP 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-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 US disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 WO 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-4026896-A ANTIALLERGENS KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (KISSEI PHARMACEUTICAL CO. LTD.) (JA) 1977-05-31 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 (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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 FFAR4 107/4885FFAR1 74/4885L3MBTL1 3947/4885
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 FFAR4 573/4885FFAR1 843/4885L3MBTL1 3156/4885

“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.