SCHEMBL8072286

SCHEMBL8072286

COC(CC(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.48
RNPEP Q9H4A4 1/20 0.46
SLC7A5 Q01650 1/20 0.46
FOLH1 Q04609 6/20 0.43
CACNA2D1 P54289 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CACNB3 P54284 1/20 0.40
CACNA1C Q13936 1/20 0.40
PGR P06401 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
MME P08473 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CPA1 P15085 1/20 0.38

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
SCHEMBL13461523 1.00 LAP3 (0.48) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL2849500 0.83 TP53 (0.39) LAP3RNPEPSLC7A5FOLH1SLC1A3
SCHEMBL25564416 0.81 SLC7A5 (0.43) LAP3RNPEPSLC7A5ALDH1A1SLC1A3
Hydrochloric Acid SCHEMBL10486450 0.81 LAP3 (0.50) LAP3RNPEPSLC7A5FOLH1CACNA2D1
Hydrochloric Acid SCHEMBL11385922 0.81 LAP3 (0.50) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL1781745 0.80 LAP3 (0.36) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL14560234 0.80 LAP3 (0.36) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL14445462 0.80 SLC1A3 (0.34) LAP3RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL11789757 0.78 LAP3 (0.52) LAP3RNPEPSLC7A5FOLH1CACNA2D1
SCHEMBL12951606 0.78 MME (0.41) LAP3FOLH1ALDH1A1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298001-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF CORSAIR PHARMA INC (US) 2017-10-19 US disclosed
EP-2697191-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-02-19 EP disclosed
WO-2012139888-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 WO disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
WO-2007056280-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056184-A2 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
EP-0021766-B1 INHIBITORS OF MAMMALIAN COLLAGENASE E.R. Squibb & Sons, Inc. (US) 1983-02-09 EP disclosed
US-4310514-A VACCINES MERCK & CO., INC. (US) 1982-01-12 US disclosed
US-4297275-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1981-10-27 US disclosed
EP-0021766-A2 Inhibitors of mammalian collagenase E.R. Squibb & Sons, Inc. (US) 1981-01-07 EP disclosed
US-4235885-A Inhibitors of mammalian collagenase E. R. SQUIBB & SONS, INC. (US) 1980-11-25 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-20170298001-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A LAP3 440/4885RNPEP 572/4885SLC7A5 3332/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR LAP3 969/4885RNPEP 1894/4885SLC7A5 682/4885

“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.