SCHEMBL6286476

SCHEMBL6286476

COc1ccc2c(c1)[C@@H](NC(=O)OCCOP(=O)([O-])[O-])CCc1cc(OC)c(OC)c(OC)c1-2.[Na+].[Na+]

nearest known ligand 0.67

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 known ✓ Q9H4B7 4/20 0.54
TUBB4A known ✓ P04350 3/20 0.54
TUBB known ✓ P07437 3/20 0.54
TUBA3C known ✓ P0DPH7 3/20 0.54
TUBA1B known ✓ P68363 3/20 0.54
TUBA4A known ✓ P68366 3/20 0.54
TUBB4B known ✓ P68371 3/20 0.54
TUBB3 known ✓ Q13509 3/20 0.54
TUBB2A known ✓ Q13885 3/20 0.54
TUBB8 known ✓ Q3ZCM7 3/20 0.54
TUBA3E known ✓ Q6PEY2 3/20 0.54
TUBA1A known ✓ Q71U36 3/20 0.54
TUBA1C known ✓ Q9BQE3 3/20 0.54
TUBB6 known ✓ Q9BUF5 3/20 0.54
TUBB2B known ✓ Q9BVA1 3/20 0.54
PAX8 Q06710 1/20 0.55
LMNA P02545 3/20 0.54
CYP2C9 P11712 3/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 2/20 0.54

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
SCHEMBL6893117 0.88 HDAC6 (0.62) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6283178 0.87 PAX8 (0.52) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6691750 0.85 PAX8 (0.51) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6278945 0.83 PAX8 (0.55) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6287108 0.83 PAX8 (0.54) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6282141 0.82 PAX8 (0.54) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6286263 0.81 PAX8 (0.55) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL17288342 0.81 PAX8 (0.81) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6286224 0.81 PAX8 (0.68) PAX8TUBB1LMNACYP2C9KMT2A
SCHEMBL6699743 0.81 PAX8 (0.52) PAX8TUBB1LMNACYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846925-B2 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2005-01-25 US claimed
US-20040142909-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED 2004-07-22 US claimed
US-6720323-B2 N-((5S)-3,9,10,11-TETRAMETHOXY-6,7-DIHYDRO-5H-DIBENZO(A,C) CYCLOHEPTEN-5-YL)-2-(2-AMINOACETYLAMINO)ACETAMIDE; DESTROYS NEWLY FORMED VASCULATURE WHILE LEAVING UNAFFECTED NORMAL, MATURE VASCULATURE. ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-04-13 US claimed
US-20030195173-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2003-10-16 US claimed
US-6846925-B2 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
US-20040142909-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED 2004-07-22 US disclosed
US-6720323-B2 N-((5S)-3,9,10,11-TETRAMETHOXY-6,7-DIHYDRO-5H-DIBENZO(A,C) CYCLOHEPTEN-5-YL)-2-(2-AMINOACETYLAMINO)ACETAMIDE; DESTROYS NEWLY FORMED VASCULATURE WHILE LEAVING UNAFFECTED NORMAL, MATURE VASCULATURE. ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-04-13 US disclosed
US-20030195173-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2003-10-16 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 (2 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-20030195173-A1 Colchinol derivatives as angiogenesis inhibitors FLT1, CCNO, FLT4 TUBB1 159/4885TUBB4A 734/4885TUBB 327/4885
US-20040142909-A1 Colchinol derivatives as angiogenesis inhibitors FLT1, CCNO, FLT4 TUBB1 161/4885TUBB4A 748/4885TUBB 334/4885

“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.