SCHEMBL19514765

SCHEMBL19514765

COc1ccc(C[C@@H](OP(=O)([O-])[O-])c2cc(OC)c(OC)c(OC)c2)cc1O.[Na+].[Na+]

nearest known ligand 0.69

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 18)

geneUniProtsupporting neighboursconfidence
TUBB1 known ✓ Q9H4B7 10/20 0.63
TUBB4A known ✓ P04350 9/20 0.63
TUBB known ✓ P07437 9/20 0.63
TUBA3C known ✓ P0DPH7 9/20 0.63
TUBA1B known ✓ P68363 9/20 0.63
TUBA4A known ✓ P68366 9/20 0.63
TUBB4B known ✓ P68371 9/20 0.63
TUBB3 known ✓ Q13509 9/20 0.63
TUBB2A known ✓ Q13885 9/20 0.63
TUBB8 known ✓ Q3ZCM7 9/20 0.63
TUBA3E known ✓ Q6PEY2 9/20 0.63
TUBA1A known ✓ Q71U36 9/20 0.63
TUBA1C known ✓ Q9BQE3 9/20 0.63
TUBB6 known ✓ Q9BUF5 9/20 0.63
TUBB2B known ✓ Q9BVA1 9/20 0.63
ALOX15 P16050 2/20 0.53
ALOX12 P18054 2/20 0.53
GAA P10253 1/20 0.43

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
SCHEMBL296731 0.89 TUBB1 (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1508665 0.84 TUBB1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2856230 0.81 TUBB1 (0.66) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL3756295 0.79 TUBB1 (0.70) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL30334938 0.78 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL29356562 0.78 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL5566666 0.78 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL29394501 0.78 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL19955 0.78 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Combretastatin SCHEMBL19956 0.78 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116287093-A Screening method of cell-embedded death agonist or antagonist and application thereof 无量光生物科技(鹤山市)有限公司 2023-06-23 CN claimed
CN-114259609-B Support frame 埃恩普裕(北京)科技有限公司 2023-02-28 CN claimed
CN-109771657-B High-molecular antitumor drug bonded with vascular blocking agent and immunomodulator and preparation method thereof 湘潭大学 2022-06-24 CN claimed
CN-114259609-A Support frame 宇航 2022-04-01 CN claimed
CN-111437396-A Antitumor drug bonded with vascular blocking agent and immunomodulator and preparation method thereof 成都吱吖科技有限公司 2020-07-24 CN claimed
CN-107550921-B Nanoparticle-polymer injectable composite hydrogel double-drug-loading system and preparation method thereof 南京邮电大学 2020-04-14 CN claimed
CN-117757052-A Temperature-sensitive hydrogel, spray preparation, and preparation method and application thereof 上海交通大学医学院附属瑞金医院 2024-03-26 CN disclosed
CN-116425670-A Novel heterocyclic compounds as TEAD inhibitors 英矽智能科技(上海)有限公司 2023-07-14 CN disclosed
CN-112663057-B Preparation method of micro-arc titanium oxide surface hydroxyapatite/carrier hydrogel composite coating 西安交通大学 2023-06-27 CN disclosed
CN-116287093-A Screening method of cell-embedded death agonist or antagonist and application thereof 无量光生物科技(鹤山市)有限公司 2023-06-23 CN disclosed
CN-113143854-B Application of human serum albumin in preparation of radioactive iodine-labeled hypericin pharmaceutical preparation 上海健康医学院 2023-05-12 CN disclosed
CN-114259609-B Support frame 埃恩普裕(北京)科技有限公司 2023-02-28 CN disclosed
CN-115636842-A Preparation method and application of oxidation-sensitive combretastatin derivative 沈阳药科大学 2023-01-24 CN disclosed
CN-111925407-A Liver-targeted modified lipid derivative and pharmaceutical formulation containing same 苏州核鼎生物技术有限公司 2020-11-13 CN disclosed
CN-109364024-B Preparation method of targeting polymer, targeting liposome, preparation method of liposome targeting preparation and application 潍坊医学院 2020-11-06 CN disclosed
CN-109364024-B Preparation method of targeting polymer, targeting liposome, preparation method of liposome targeting preparation and application 潍坊医学院 2020-11-06 CN disclosed
CN-111603436-A Photodynamic silica nanomaterial @ hydrogel composite drug loading system, and preparation method and application thereof 徐州医科大学 2020-09-01 CN disclosed
CN-111588914-A Medicine coating for interventional or implanted medical apparatus and preparation method thereof 辽宁垠艺生物科技股份有限公司 2020-08-28 CN disclosed
CN-111437396-A Antitumor drug bonded with vascular blocking agent and immunomodulator and preparation method thereof 成都吱吖科技有限公司 2020-07-24 CN disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 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 (1 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-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 TUBB1 2620/4885TUBB4A 3629/4885TUBB 3223/4885

“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.