SCHEMBL16362233

SCHEMBL16362233

COc1cc(C)cc(/C=C/c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.77
CYP1B1 Q16678 8/20 0.77
NQO2 P16083 6/20 0.63
CYP1A2 P05177 5/20 0.63
ABL1 P00519 4/20 0.63
BCR P11274 4/20 0.63
TTR P02766 3/20 0.63
ALOX5 P09917 3/20 0.63
ESR1 P03372 2/20 0.63
ABCB1 P08183 2/20 0.63
CYP19A1 P11511 2/20 0.63
PTGS2 P35354 2/20 0.63
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63
TUBA3C P0DPH7 1/20 0.63
AHR P35869 1/20 0.63
TUBA1B P68363 1/20 0.63
TUBA4A P68366 1/20 0.63
TUBB4B P68371 1/20 0.63
TUBB3 Q13509 1/20 0.63

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
SCHEMBL1743363 0.88 CYP1A1 (1.00) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL1743365 0.88 CYP1A1 (1.00) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL12535856 0.88 PTGS2 (0.78) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL10312395 0.88 RELA (0.68) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL13369584 0.87 CYP1A1 (0.58) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL12729855 0.86 KDM4E (0.69) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL12729845 0.85 CYP1A1 (0.56) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL19106990 0.85 CYP1A1 (0.56) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL16167739 0.84 CYP1A1 (0.61) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL11999776 0.83 F3 (0.56) CYP1A1CYP1B1NQO2CYP1A2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9018314-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-04-28 US disclosed
US-8993688-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 US disclosed
US-8993689-B1 Polyphenols and high-performance resins from syringaldehyde THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 US disclosed
US-8921614-B1 Selective deoxygenation of hydroxybenzaldehydes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-12-30 US disclosed