SCHEMBL4466281

SCHEMBL4466281

O=C(O)CC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.53
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
PPARG P37231 1/20 0.45
CPA1 P15085 1/20 0.44

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
SCHEMBL6631553 0.86 ALDH1A1 (0.49) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL27427478 0.83 CHRNB2 (0.48) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL4130181 0.83 CPA3 (0.47) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL27587442 0.83 CPA3 (0.47) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL3702042 0.81 GABBR2 (0.47) FFAR1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL7364895 0.81 F10 (0.54) KMT2ASMN1; SMN2
SCHEMBL1670315 0.80 FFAR1 (0.62) FFAR1
Ethylene Glycol SCHEMBL27959589 0.80 ABCB1 (0.43) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10382406 0.79 KMT2A (0.51) FFAR1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL14945152 0.79 CHRNB2 (0.53) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124737-A1 ACRYLIC PLASTISOL VISCOSITY REDUCERS EASTMAN CHEMICAL COMPANY (US) 2009-05-14 US disclosed
US-20060135812-A1 Thiol-based NAALADase inhibitors TSUKAMOTO TAKASHI 2006-06-22 US disclosed
US-6992215-B2 Thiol-based NAALADase inhibitors GUILDFORD PHARMACEUTICALS INC. (US) 2006-01-31 US disclosed
US-20050154019-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2005-07-14 US disclosed
US-20050137248-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2005-06-23 US disclosed
US-20050101567-A1 Substituted cyclic amine metalloprotease inhibitors NATCHUS MICHAEL G (US) 2005-05-12 US disclosed
US-20050085503-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC, 2005-04-21 US disclosed
US-6872742-B2 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-03-29 US disclosed
US-6858628-B2 Substituted cyclic amine metalloprotease inhibitors THE PROCTOR & GAMBLE COMPANY (US) 2005-02-22 US disclosed
US-6812364-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; ANTICANCER AGENTS GUILFORD PHARMACEUTICALS INC. 2004-11-02 US disclosed
US-20040138260-A1 Substituted cyclic amine metalloprotease inhibitors PROCTER & GAMBLE COMPANY, THE 2004-07-15 US disclosed
US-20030191163-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-10-09 US disclosed
US-6586623-B2 Carbocyclic mercaptans such as 3-carboxy-alpha-(3-mercapto-propyl) benzenepropanoic acid, used as N-acetylated alpha-linked acidic dipeptidase(NAALADase) inhibitors and for medical diadnosis GUILFORD PHARMACEUTICALS INC. 2003-07-01 US disclosed
US-20030105153-A1 Substituted cyclic amine metalloprotease inhibitors PROCTER & GAMBLE COMPANY, THE 2003-06-05 US disclosed
US-6569855-B2 Particularly zinc metalloprotease activity for treatment of variety of maladies involving inflammation and/or tissue integrity THE PROCTER & GAMBLE COMPANY 2003-05-27 US disclosed
EP-0927161-B1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-10-16 EP disclosed
US-6417219-B1 ENZYME INHIBITORS AND OSTEOARTHRITIS THE PROCTOR & GAMBLE COMPANY 2002-07-09 US disclosed
US-20020072517-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2002-06-13 US disclosed
US-20020061877-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2002-05-23 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 (10 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-20060135812-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, GGCT FFAR1 4257/4885SLC1A3 222/4885SLC1A2 129/4885
US-20020061877-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 FFAR1 2646/4885SLC1A3 1444/4885SLC1A2 1145/4885
US-20050154019-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 FFAR1 3297/4885SLC1A3 1510/4885SLC1A2 1163/4885
US-20030191163-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 FFAR1 2646/4885SLC1A3 1444/4885SLC1A2 1145/4885
US-20040138260-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, MMP1, MMP25 FFAR1 2833/4885SLC1A3 880/4885SLC1A2 823/4885
US-20050137248-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 FFAR1 3297/4885SLC1A3 1510/4885SLC1A2 1163/4885
US-20050101567-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 FFAR1 3297/4885SLC1A3 1510/4885SLC1A2 1163/4885
US-20020072517-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 FFAR1 2646/4885SLC1A3 1444/4885SLC1A2 1145/4885
US-20030105153-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 FFAR1 2646/4885SLC1A3 1444/4885SLC1A2 1145/4885
US-20050085503-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, FOLH1 FFAR1 4171/4885SLC1A3 206/4885SLC1A2 119/4885

“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.