SCHEMBL1876901

SCHEMBL1876901

O=C(O)C=Cc1ccc(OS(=O)(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
ATM Q13315 1/20 0.61
HCAR2 Q8TDS4 2/20 0.53
CA12 O43570 2/20 0.53
AKR1B10 O60218 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA3 P07451 2/20 0.53
AKR1B1 P15121 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
DPP4 P27487 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
ESR1 P03372 1/20 0.53
PKM P14618 1/20 0.53
TYR P14679 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
SCHEMBL6041181 1.00 THRB (0.61) THRBATMHCAR2CA12AKR1B10
SCHEMBL5966402 0.92 KMT2A (0.55) THRBATMHCAR2CA12AKR1B10
SCHEMBL5966403 0.92 KMT2A (0.55) THRBATMHCAR2CA12AKR1B10
SCHEMBL15649102 0.85 CISD1 (0.65) CA12CA1CA2CA3CA4
SCHEMBL4076403 0.84 THRB (0.64) THRBATMHCAR2CA12AKR1B10
SCHEMBL4076401 0.84 THRB (0.64) THRBATMHCAR2CA12AKR1B10
SCHEMBL28349619 0.83 MAPT (0.55) THRBATMHCAR2CA12AKR1B10
SCHEMBL5216755 0.83 THRB (0.57) THRBATMHCAR2CA12AKR1B10
SCHEMBL5216742 0.83 THRB (0.57) THRBATMHCAR2CA12AKR1B10
SCHEMBL28520144 0.81 CISD1 (0.57) CISD1STSLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172102-A1 USE OF OLIGOAPIOGALACTURONANS AND THEIR DERIVATIVES TO SIMULATE DEFENCE AND RESISTANCE REACTIONS IN PLANTS AGAINST BIOTIC AND ABIOTIC STRESS SOURCES ALGIE PLUS (FR) 2011-07-14 US claimed
US-20110172102-A1 USE OF OLIGOAPIOGALACTURONANS AND THEIR DERIVATIVES TO SIMULATE DEFENCE AND RESISTANCE REACTIONS IN PLANTS AGAINST BIOTIC AND ABIOTIC STRESS SOURCES ALGIE PLUS (FR) 2011-07-14 US disclosed
US-20110100371-A1 ANTI-VIRAL PROPERTIES OF ZOSTERIC ACID AND RELATED MOLECULES FLORIDA GULF COAST UNIVERSITY (US) 2011-05-05 US disclosed
US-7618697-B2 Coatings, films; environmentally friendly CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-11-17 US disclosed
WO-2009012157-A2 ANTI-VIRAL PROPERTIES OF ZOSTERIC ACID AND RELATED MOLECULES FLORIDA GULF COAST UNIVERSITY (US) 2009-01-22 WO disclosed
US-20070128151-A1 Coatings, films; environmentally friendly CIBA SPECIALTY CHEMICALS CORP. 2007-06-07 US disclosed
US-20060053510-A1 Transgenic plants incorporating traits of Zostera marina CUTLER, ELIOT 2006-03-09 US disclosed
US-6841718-B2 Transgenic plants incorporating traits of Zostera marina CERNO BIOSCIENCES LLC (US) 2005-01-11 US disclosed
US-20020016980-A1 Transgenic plants incorporating traits of zostera marina CERNOFINA, LLC 2002-02-07 US disclosed
WO-2001085971-A2 TRANSGENIC PLANTS INCORPORATING_GENES OF ZOSTERA MARINA PHYCOGEN, INC. (US) 2001-11-15 WO disclosed
US-5990336-A Synthesis and purification of zosteric acid THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1999-11-23 US disclosed
US-4410626-A Process for the production of 7α-methoxycephalosporin derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1983-10-18 US disclosed
US-4259326-A ANTIBIOTICS, BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-03-31 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-20070128151-A1 Coatings, films; environmentally friendly CUTA, GAP43, NAPA THRB 3546/4885ATM 4869/4885HCAR2 279/4885
US-20110100371-A1 ANTI-VIRAL PROPERTIES OF ZOSTERIC ACID AND RELATED MOLECULES HAVCR2, ZC3HAV1, ZC3HAV1L THRB 4840/4885ATM 4883/4885HCAR2 1032/4885

“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.