SCHEMBL1300987

SCHEMBL1300987

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRA1A P35348 2/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PGD P52209 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8372729 0.78 TSHR (0.39) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL28948545 0.78 TSHR (0.41) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL27559098 0.78 SLC22A6 (0.43) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL249850 0.78 TSHR (0.39) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL4397555 0.78 TSHR (0.41) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL29799742 0.78 TSHR (0.41) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL23913764 0.77 SLC22A6 (0.41) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL20711453 0.77 SLC22A6 (0.41) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL1572820 0.77 SLC22A6 (0.41) TSHRALDH1A1ADRA1AHMGCRCHRM1
SCHEMBL31504495 0.77 GRIK1 (0.46) TSHRALDH1A1TET2

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-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed
EP-2178846-A1 ROSUVASTATIN INTERMEDIATES AND THEIR PREPARATION Teva Pharmaceutical Industries Ltd. (IL) 2010-04-28 EP disclosed
US-20090069563-A1 Rosuvastatin intermediates and their preparation TEVA PHARMACEUTICALS USA, INC. 2009-03-12 US disclosed
WO-2009009152-A1 ROSUVASTATIN INTERMEDIATES AND THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-01-15 WO disclosed
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP 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 (1 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-20090069563-A1 Rosuvastatin intermediates and their preparation HMGCR, PCSK9, PCSK7 TSHR 4255/4885ALDH1A1 2082/4885ADRA1A 1048/4885

“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.