SCHEMBL3649813

SCHEMBL3649813

Oc1ccc(C(O)C(O)c2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.55
ESR2 Q92731 7/20 0.55
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
HIF1A Q16665 4/20 0.53
ALOX15 P16050 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
NFKB1 P19838 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
THPO P40225 2/20 0.53
BLM P54132 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
CA12 O43570 1/20 0.53
GMNN O75496 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 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
SCHEMBL11602702 0.89 IDO1 (0.54) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL21048268 0.88 ESR1 (0.50) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL17832171 0.87 ESR1 (0.44) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL21069851 0.85 ESR1 (0.50) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL29111682 0.83 ESR1 (0.46) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL14106841 0.83 ESR1 (0.59) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL7073627 0.83 ESR1 (0.48) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL11366370 0.83 ESR1 (0.59) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL15240610 0.83 ESR1 (0.59) ESR1ESR2PDCD1CD274HIF1A
Hydrochloric Acid SCHEMBL11240508 0.81 ALOX15 (0.46) ESR1ESR2PDCD1CD274HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4157286-A Production of 1,2-bis(hydroxyphenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-06-05 US claimed
US-4133729-A Production of 1,2-bis(hydroxy-phenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-01-09 US claimed
US-4087336-A Electrolytic reductive coupling of hydroxybenzaldehydes MONSANTO COMPANY (US) 1978-05-02 US claimed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 US claimed
US-10766887-B2 Benzoxazine-based mixture and use thereof KOLON INDUSTRIES, INC. (KR) 2020-09-08 US disclosed
US-20190169177-A1 BENZOXAZINE-BASED MIXTURE AND USE THEREOF KOLON INDUSTRIES, INC. (KR) 2019-06-06 US disclosed
US-9187591-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-11-17 US disclosed
US-9187591-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-11-17 US disclosed
US-9127115-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-09-08 US disclosed
US-9127115-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-09-08 US disclosed
EP-2067761-B1 METHOD OF PRODUCING DIOL, POLYDIOL, SECONDARY ALCOHOL OR DIKETONE COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2015-07-08 EP disclosed
US-9051414-B1 Polyphenols and high-performance resins from syringaldehyde The United States of America as Represented by the Secretary of he Navy (US) 2015-06-09 US disclosed
US-4157286-A Production of 1,2-bis(hydroxyphenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-06-05 US disclosed
US-4133729-A Production of 1,2-bis(hydroxy-phenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-01-09 US disclosed
US-4133729-A Production of 1,2-bis(hydroxy-phenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-01-09 US disclosed
US-4133729-A Production of 1,2-bis(hydroxy-phenyl)ethane-1,2-diols by electrolytic reduction MONSANTO COMPANY (US) 1979-01-09 US disclosed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 US disclosed
US-4087463-A COBALT CARBONYL CATALYST MONSANTO COMPANY (US) 1978-05-02 US disclosed
US-4087336-A Electrolytic reductive coupling of hydroxybenzaldehydes MONSANTO COMPANY (US) 1978-05-02 US disclosed
US-4087336-A Electrolytic reductive coupling of hydroxybenzaldehydes MONSANTO COMPANY (US) 1978-05-02 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 (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-20190169177-A1 BENZOXAZINE-BASED MIXTURE AND USE THEREOF HELZ, GABBR1, CBX7 ESR1 535/4885ESR2 1073/4885PDCD1 2579/4885
US-10766887-B2 Benzoxazine-based mixture and use thereof HELZ, GABBR1, CBX7 ESR1 535/4885ESR2 1073/4885PDCD1 2579/4885

“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.