SCHEMBL6872640

SCHEMBL6872640

O=[N+]([O-])/C=C/c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.58
▸ FBP1 P09467 5/20 0.53
▸ TLR4 O00206 1/20 0.53
▸ TLR2 O60603 1/20 0.53
▸ NFKB1 P19838 2/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ JUN P05412 1/20 0.52
▸ NFE2L2 Q16236 1/20 0.52
▸ EGFR P00533 2/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ ABL2 P42684 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ TRIM24 O15164 1/20 0.48
▸ TRIM33 Q9UPN9 1/20 0.48

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
SCHEMBL29960004 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2NFKB1
SCHEMBL9328746 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2NFKB1
SCHEMBL1805981 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2EGFR
SCHEMBL1805984 0.85 RXRA (0.54) RXRAFBP1TLR4TLR2EGFR
SCHEMBL13930333 0.78 RXRA (0.59) RXRAFBP1TLR4TLR2EGFR
SCHEMBL8413165 0.77 MAPT (0.62) NFKB1MAPTLMNATRPA1NPC1
SCHEMBL104148 0.76 HSP90AA1 (0.63) RXRAFBP1TLR4TLR2MAPT
SCHEMBL470811 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2NFE2L2
SCHEMBL798354 0.76 RXRA (0.58) RXRAFBP1TLR4TLR2MAPT
SCHEMBL4723192 0.76 NFE2L2 (0.58) RXRAFBP1TLR4TLR2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN claimed
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN disclosed
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 — — CN disclosed
EP-2982368-A1 Small molecule compounds displacing focal adhesion core components Universität Konstanz (DE) 2016-02-10 — — EP disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 — — US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 — — US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 — — US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 — — US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 — — US disclosed
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 — — US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 — — US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 — — US disclosed
WO-2011050270-A2 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 — — WO disclosed
WO-2011050276-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA, INC. (US) 2011-04-28 — — WO disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 — — US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 — — US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 — — 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 (9 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-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 RXRA 598/4885FBP1 1046/4885TLR4 3904/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 RXRA 598/4885FBP1 1046/4885TLR4 3904/4885
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 RXRA 4612/4885FBP1 609/4885TLR4 4209/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 RXRA 598/4885FBP1 1046/4885TLR4 3904/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 RXRA 598/4885FBP1 1046/4885TLR4 3904/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 RXRA 624/4885FBP1 1379/4885TLR4 3834/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR RXRA 625/4885FBP1 1132/4885TLR4 3768/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 RXRA 598/4885FBP1 1046/4885TLR4 3904/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 RXRA 4651/4885FBP1 670/4885TLR4 3953/4885

“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.

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