SCHEMBL415680

SCHEMBL415680

CC1C(O)C=C(C(=O)O)CC1O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13968808 1.00 GABRR1 (0.34) GABRR1TSHRMAPK1HSD17B10
SCHEMBL12450139 0.84 ALDH1A1 (0.35) GABRR1TSHRMAPK1HSD17B10
Shikimic Acid SCHEMBL12833224 0.83 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL15144346 0.83 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL4394639 0.83 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL8943144 0.83 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL13577074 0.83 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL43377 0.83 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL10042220 0.83 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL9885028 0.83 GABRR1 (0.36) GABRR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056488-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA INC (US) 2022-02-24 US disclosed
US-20200332320-A1 MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS GENOMATICA, INC. 2020-10-22 US disclosed
US-10793882-B2 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA, INC. (US) 2020-10-06 US disclosed
US-10385344-B2 Microorganisms and methods for the biosynthesis of (2-hydroxy-3methyl-4-oxobutoxy) phosphonate GENOMATICA, INC. (US) 2019-08-20 US disclosed
US-20190032095-A1 MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS GENOMATICA, INC. 2019-01-31 US disclosed
US-10059967-B2 Microorganisms and processes for producing terephthalic acid and its salts GENOMATICA, INC. (US) 2018-08-28 US disclosed
EP-3312284-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE Genomatica, Inc. (US) 2018-04-25 EP disclosed
US-20170335352-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE AGAIN BIO APS (DK) 2017-11-23 US disclosed
EP-2607340-B1 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA INC (US) 2017-09-06 EP disclosed
US-9556461-B2 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA, INC. (US) 2017-01-31 US disclosed
US-8715957-B2 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA, INC. (US) 2014-05-06 US disclosed
WO-2013109865-A2 MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS GENOMATICA, INC. (US) 2013-07-25 WO disclosed
EP-2607340-A1 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene Genomatica, Inc. (US) 2013-06-26 EP disclosed
EP-2529011-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF P-TOLUATE AND TEREPHTHALATE Genomatica, Inc. (US) 2012-12-05 EP disclosed
US-20120039828-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses Industrial Framaceutica Cantabria, S.A. (ES) 2012-02-16 US disclosed
US-20120039828-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses Industrial Framaceutica Cantabria, S.A. (ES) 2012-02-16 US disclosed
WO-2012018624-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA, INC. (US) 2012-02-09 WO disclosed
US-20120021478-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE AGAIN BIO APS (DK) 2012-01-26 US disclosed
US-20110207185-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF P-TOLUATE AND TEREPHTHALATE GENOMATICA, INC. 2011-08-25 US disclosed
WO-2011094131-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF P-TOLUATE AND TEREPHTHALATE GENOMATICA, INC. (US) 2011-08-04 WO 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 (4 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-20190032095-A1 MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS HPD, PAH, TST GABRR1 3297/4885TSHR 1910/4885MAPK1 1200/4885
US-10059967-B2 Microorganisms and processes for producing terephthalic acid and its salts HPD, PAH, TST GABRR1 2943/4885TSHR 1964/4885MAPK1 1006/4885
US-20200332320-A1 MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS HPD, PAH, TST GABRR1 3297/4885TSHR 1910/4885MAPK1 1200/4885
US-20120039828-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses ME1, ME2, SI GABRR1 4373/4885TSHR 4550/4885MAPK1 1085/4885

“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.