SCHEMBL3690496

SCHEMBL3690496

CCOc1ccc(CCC(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.60
APP P05067 1/20 0.60
TSHR P16473 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
FFAR4 Q5NUL3 3/20 0.56
FFAR1 O14842 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARA Q07869 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
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
SCHEMBL3673329 0.94 FFAR4 (0.61) CALM1APPTSHRHDAC1HDAC2
SCHEMBL7995941 0.93 FFAR4 (0.60) CALM1APPTSHRHDAC1HDAC2
SCHEMBL2840795 0.92 FFAR4 (0.55) CALM1APPHDAC1HDAC2FFAR4
SCHEMBL347209 0.89 FFAR4 (0.61) FFAR4FFAR1ALDH1A1MEN1KMT2A
SCHEMBL3693650 0.88 LMNA (0.60) APPHDAC1HDAC2FFAR4FFAR1
SCHEMBL22622262 0.88 LMNA (0.62) APPHDAC1HDAC2FFAR4FFAR1
SCHEMBL1269702 0.88 PPARG (0.53) CALM1APPTSHRHDAC1HDAC2
Hydrochloric Acid SCHEMBL3225386 0.87 FFAR4 (0.59) FFAR4FFAR1ALDH1A1MEN1KMT2A
SCHEMBL9178046 0.87 FFAR4 (0.55) APPFFAR4FFAR1PPARAALDH1A1
SCHEMBL5687906 0.85 PPARA (0.57) APPHDAC1HDAC2FFAR4FFAR1

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
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-20060122064-A1 Amides and method for plant diseases control with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 US disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 WO disclosed
WO-2005122766-A1 FUNGICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-29 WO disclosed
EP-1609360-A1 Fungicidal Composition Sumitomo Chemical Company, Limited (JP) 2005-12-28 EP disclosed
US-20050282888-A1 Fungicidal composition SUMITOMO CHEMICAL COMPANY, LIMITED 2005-12-22 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 (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-20060122064-A1 Amides and method for plant diseases control with the same ARG1, ARGLU1, ARG2 CALM1 1314/4885APP 3090/4885TSHR 851/4885
US-20050282888-A1 Fungicidal composition DDT, CYP51A1, DDAH1 CALM1 1995/4885APP 2172/4885TSHR 3635/4885
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 CALM1 3616/4885APP 2382/4885TSHR 1055/4885

“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.