SCHEMBL6417265

SCHEMBL6417265

C/C=C\COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.61
KCNA3 P22001 1/20 0.46
LTA4H P09960 2/20 0.43
HTR1B P28222 2/20 0.42
LMNA P02545 1/20 0.42
HTR1D P28221 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
ALOX15 P16050 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
RELA Q04206 1/20 0.39
KCNH2 Q12809 1/20 0.39
CA4 P22748 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL2292322 1.00 AOC3 (0.61) AOC3KCNA3LTA4HHTR1BLMNA
SCHEMBL2292320 1.00 AOC3 (0.61) AOC3KCNA3LTA4HHTR1BLMNA
Hydrogen Sulfide SCHEMBL28860109 0.98 AOC3 (0.59) AOC3KCNA3LTA4HHTR1BLMNA
SCHEMBL11101454 0.92 LTA4H (0.57) AOC3LTA4H
SCHEMBL11696942 0.92 LTA4H (0.57) AOC3LTA4H
SCHEMBL11780642 0.88 AOC3 (0.58) AOC3KCNA3LTA4HHTR1BLMNA
SCHEMBL11101113 0.88 AOC3 (0.48) AOC3LTA4HLMNAALDH1A1CHRNB2
SCHEMBL11780647 0.88 AOC3 (0.58) AOC3KCNA3LTA4HHTR1BLMNA
SCHEMBL419305 0.85 AOC3 (0.78) AOC3KCNA3LTA4HHTR1BLMNA
SCHEMBL419306 0.85 AOC3 (0.78) AOC3KCNA3LTA4HHTR1BLMNA

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-20050159519-A1 Phenylenediamine derivative, production method thereof and antioxidant for rubber using it as effective constituent NOK CORPORATION 2005-07-21 US disclosed
US-20020016508-A1 Phenylenediamine derivative, production method thereof and antioxidant for rubber using it as effective constituent NOK CORPORATION 2002-02-07 US disclosed
US-6329551-B1 HIGH TEMPERATURE STABILITY NOK CORPORATION (JP) 2001-12-11 US disclosed
US-6093853-A N,N'-(MONO,DI, OR TRI-((ALKOXY)(SUBSTITUTED)PHENYLALKYL) PHENYL) PHENYLENEDIAMINE; MADE BY REACTING N,N'-DIPHENYL-1,4-PHENYLENEDIAMINE AND A STYRENE DERIVATIVE OF GIVEN FORMULA IN THE PRESENCE OF A PROTONIC ACID CATALYST NOK CORPORATION (JP) 2000-07-25 US disclosed
US-6045837-A BEVERAGE CONTAINER COMPRISING IMPERVIOUS LAYER OF POLYMER HAVING AROMATIC FUSED RING-CONTAINING UNITS, I.E., POLYETHYLENE NAPHTHALENEDICARBOXYLATE, AND WHICH IS INERT TO ANETHOLE DEGRADATION; STORAGE STABILITY PERNOD RICARD (FR) 2000-04-04 US disclosed
US-5908678-A Long-life polymer packaging for an anethole-based drink and process intended to limit the loss of anethole contained in a solution PERNOD RICARD (FR) 1999-06-01 US disclosed
US-5871791-A FILMS OF AROMATIC POLYAMIDES FOR BEVERAGES Ricard, Pernod (FR) 1999-02-16 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-20020016508-A1 Phenylenediamine derivative, production method thereof and antioxidant for rubber using it as effective constituent PNMT, PRMT1, GPX4 AOC3 402/4885KCNA3 2351/4885LTA4H 3173/4885
US-20050159519-A1 Phenylenediamine derivative, production method thereof and antioxidant for rubber using it as effective constituent PNMT, PRMT1, DNMT1 AOC3 359/4885KCNA3 2220/4885LTA4H 3119/4885

“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.