Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL5035608

COc1cc(C=Cc2ccccc2)cc(OC)c1OC.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 10/20 0.73
▸ TUBB4A P04350 8/20 0.73
▸ TUBB P07437 8/20 0.73
▸ TUBA3C P0DPH7 8/20 0.73
▸ TUBA1B P68363 8/20 0.73
▸ TUBA4A P68366 8/20 0.73
▸ TUBB4B P68371 8/20 0.73
▸ TUBB3 Q13509 8/20 0.73
▸ TUBB2A Q13885 8/20 0.73
▸ TUBB8 Q3ZCM7 8/20 0.73
▸ TUBA3E Q6PEY2 8/20 0.73
▸ TUBA1A Q71U36 8/20 0.73
▸ TUBA1C Q9BQE3 8/20 0.73
▸ TUBB6 Q9BUF5 8/20 0.73
▸ TUBB2B Q9BVA1 8/20 0.73
▸ TNFRSF1A P19438 1/20 0.56
▸ HTR1A P08908 2/20 0.55
▸ EGFR P00533 1/20 0.54
▸ CYP19A1 P11511 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53

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
SCHEMBL4416013 0.86 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL919833 0.86 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9184995 0.86 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sulfamate SCHEMBL21980869 0.82 TUBB1 (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sulfamate SCHEMBL21980858 0.82 TUBB1 (0.78) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Dimethylamine SCHEMBL9187869 0.81 TUBB1 (0.89) TUBB1TUBB4ATUBBTUBA3CTUBA1B
(Z)-1,2-Diphenylethene SCHEMBL5079927 0.80 HDAC1 (0.48) CYP19A1ALDH1A1CYP1A2
(Z)-1,2-Diphenylethene SCHEMBL5079926 0.80 HDAC1 (0.48) CYP19A1ALDH1A1CYP1A2
SCHEMBL14175306 0.80 CYP1A1 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14175313 0.79 TUBB1 (0.67) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 — — US claimed
EP-1601348-A4 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE INC (US) 2008-12-10 — — EP claimed
EP-1601348-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2005-12-07 — — EP claimed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 — — WO claimed
US-RE45907-E1 Functionalized stilbene derivatives as improved vascular targeting agents OXIGENE, INC. (US) 2016-03-01 — — US disclosed
EP-1601348-A4 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE INC (US) 2008-12-10 — — EP disclosed
US-7384925-B2 2' Hydroxy-3'-bromo-3,4,4',5-tetramethoxy-(Z)-stilbene; antimitotic agent; inhibits the assembly of tubulin into microtubules; anticarcinogenic: solid tumor cancers, neovascularization; tubulin-binding stilbenoid analogs structurally related to combretastatin A-1 and A-4 (extract from willow tree) OXIGENE, INC. (US) 2008-06-10 — — US disclosed
US-20060035868-A1 Functionalized stilbene derivatives as improved vascular targeting agents MATEON THERAPEUTICS, INC. 2006-02-16 — — US disclosed
EP-1601348-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2005-12-07 — — EP disclosed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 — — 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 (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-20060035868-A1 Functionalized stilbene derivatives as improved vascular targeting agents FLT1, FLT4, KDR TUBB1 9/4885TUBB4A 6/4885TUBB 17/4885

“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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