SCHEMBL507985

SCHEMBL507985

CCCC(=O)c1ccc(CBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.62
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
THRA P10827 5/20 0.56
THRB P10828 5/20 0.56
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
STS P08842 1/20 0.49
HTR7 P34969 1/20 0.47

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
SCHEMBL27455127 0.85 HSD17B3 (0.67) HSD17B3THRATHRBSTSHTR7
SCHEMBL31366289 0.85 HSD17B3 (0.67) HSD17B3THRATHRBSTSHTR7
SCHEMBL7758945 0.85 HSD17B3 (0.67) HSD17B3THRATHRBSTSHTR7
SCHEMBL15743522 0.85 HSD17B3 (0.67) HSD17B3THRATHRBSTSHTR7
SCHEMBL26254861 0.85 HSD17B3 (0.82) HSD17B3L3MBTL1HPGDSMN1; SMN2STS
SCHEMBL4417711 0.83 HSD17B3 (0.67) HSD17B3L3MBTL1HPGDSMN1; SMN2THRA
SCHEMBL5270771 0.83 HSD17B3 (0.67) HSD17B3L3MBTL1HPGDSMN1; SMN2THRA
SCHEMBL508405 0.83 MAPT (0.53) HSD17B3L3MBTL1SMN1; SMN2THRATHRB
SCHEMBL28908404 0.80 THRA (0.79) HSD17B3L3MBTL1THRATHRB
SCHEMBL4819030 0.80 CES2 (0.50) HSD17B3L3MBTL1SMN1; SMN2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
EP-1828224-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2016-04-06 EP disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 US disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 US disclosed
US-8859802-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-14 US disclosed
US-8859802-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-14 US disclosed
US-8846876-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Abrx, Inc. (US) 2014-09-30 US disclosed
US-8846876-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Abrx, Inc. (US) 2014-09-30 US disclosed
US-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-07-24 US disclosed
US-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-07-24 US disclosed
US-20080177027-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-07-24 US disclosed
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-06-26 US disclosed
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-06-26 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN 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-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS HSD17B3 4508/4885L3MBTL1 1737/4885HPGD 989/4885
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP HSD17B3 4466/4885L3MBTL1 2473/4885HPGD 876/4885
US-20080177027-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS HSD17B3 4508/4885L3MBTL1 1737/4885HPGD 989/4885
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses DAO, DNPEP, AADAT HSD17B3 4632/4885L3MBTL1 1362/4885HPGD 882/4885

“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.