SCHEMBL16362234

SCHEMBL16362234

COc1cc(C)cc(C(O)C(O)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35
▸ TUBB3 Q13509 2/20 0.35
▸ TUBB2A Q13885 2/20 0.35
▸ TUBB8 Q3ZCM7 2/20 0.35

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
SCHEMBL16372527 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP1A1CYP1B1ABL1
SCHEMBL9119439 0.88 CYP3A4 (0.38) ALDH1A1CYP3A4ACHEPTPN1TACR1
SCHEMBL11914197 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4ACHEPTPN1CYP1A1
SCHEMBL16362235 0.86 ABL1 (0.44) ALDH1A1CYP3A4PTPN1CYP1A1CYP1B1
SCHEMBL19728211 0.84 ACHE (0.46) ALDH1A1CYP3A4ACHEABL1ABCB1
SCHEMBL2464674 0.82 ADRA2A (0.48) ALDH1A1CYP3A4ACHEKMT2ATUBB4A
SCHEMBL24406798 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A1CYP1B1ABL1
SCHEMBL12501 0.79 ALDH1A1 (0.73) ALDH1A1CYP3A4ACHEPTPN1CYP1A1
SCHEMBL10365610 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP1A1CYP1B1ABL1
SCHEMBL2758299 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4ACHEPTPN1CYP1A1

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
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