SCHEMBL416062

SCHEMBL416062

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.33
CES2 O00748 1/20 0.32
MAPK1 P28482 3/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL218786 0.82 GABRR1 (0.36) GABRR1MAPK1TSHRHSD17B10TDP1
SCHEMBL14439278 0.82 GABRR1 (0.36) GABRR1MAPK1TSHRHSD17B10TDP1
SCHEMBL799755 0.82 GABRR1 (0.36) GABRR1MAPK1TSHRHSD17B10TDP1
SCHEMBL21757620 0.82 GABRR1 (0.36) GABRR1MAPK1TSHRHSD17B10TDP1
SCHEMBL20363529 0.77 GABRR1 (0.33) GABRR1MAPK1TSHRHSD17B10TDP1
SCHEMBL17453292 0.74 GABRR1 (0.32) GABRR1MAPK1TSHRHSD17B10TDP1
SCHEMBL29550605 0.71 GABRR1 (0.42) GABRR1MAPK1TSHRHSD17B10TDP1
SCHEMBL13758787 0.67 ALDH1A1 (0.35) GABRR1LMNA
SCHEMBL415680 0.67 GABRR1 (0.34) GABRR1MAPK1TSHRHSD17B10
SCHEMBL10020532 0.67 ALDH1A1 (0.35) GABRR1LMNA

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 24 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-20150004662-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF (2-HYDROXY-3METHYL-4-OXOBUTOXY) PHOSPHONATE GENOMATICA INC (US) 2015-01-01 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
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
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 (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-20190032095-A1 MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS HPD, PAH, TST GABRR1 3297/4885CES2 1969/4885MAPK1 1200/4885
US-10059967-B2 Microorganisms and processes for producing terephthalic acid and its salts HPD, PAH, TST GABRR1 2943/4885CES2 2257/4885MAPK1 1006/4885
US-20200332320-A1 MICROORGANISMS AND PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND ITS SALTS HPD, PAH, TST GABRR1 3297/4885CES2 1969/4885MAPK1 1200/4885

“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.