SCHEMBL2519252

SCHEMBL2519252

O=C1C=CC(=O)C(Cc2cccc3ccccc23)=C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CTRC Q99895 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
CMA1 P23946 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NQO1 P15559 1/20 0.41
ACP3 P15309 1/20 0.41
IDH1 O75874 1/20 0.40
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
ADRA1A P35348 2/20 0.40

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
Hydrochloric Acid SCHEMBL28812727 0.75 MAOA (0.53) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL2516397 0.74 ACP3 (0.42) CTRCALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL6061351 0.73 MAOA (0.59) MAOAMAOBKMT2A
SCHEMBL599659 0.73 CYP2C19 (0.62) CTRCALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL29490353 0.73 CYP2C19 (0.62) CTRCALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL1079030 0.73 ALDH1A1 (0.46) MAOAMAOBALDH1A1TDP1CYP1A2
SCHEMBL10896758 0.73 MAOA (0.58) MAOAMAOBALDH1A1TDP1CYP1A2
SCHEMBL27093593 0.72 MAOA (0.53) MAOAMAOBALDH1A1MAPTIDH1
SCHEMBL659516 0.71 CYP2C19 (0.60) CTRCALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL4667060 0.71 CYP2C19 (0.60) CTRCALDH1A1TDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590301-A USING PHENOL OR DIKETONE CYCLOHEXYL COMPOUNDS BARNES-HIND, INC. (US) 1986-05-20 US claimed
EP-0179476-A1 Polymerization inhibitors and polymerization-inhibited solutions of monomers Barnes-Hind, Inc. (US) 1986-04-30 EP claimed
US-8470932-B2 Scalable process for synthesis of a curable wax XEROX CORPORATION (US) 2013-06-25 US disclosed
US-8207274-B2 Solvent-free process for synthesis of a curable wax XEROX CORPORATION (US) 2012-06-26 US disclosed
US-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 US disclosed
US-20110251334-A1 SOLVENT-FREE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 US disclosed
US-5292873-A Nucleic acids labeled with naphthoquinone probe THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-03-08 US disclosed
US-4590301-A USING PHENOL OR DIKETONE CYCLOHEXYL COMPOUNDS BARNES-HIND, INC. (US) 1986-05-20 US disclosed
EP-0179476-A1 Polymerization inhibitors and polymerization-inhibited solutions of monomers Barnes-Hind, Inc. (US) 1986-04-30 EP 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 (1 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-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX HACL2, USP14, USP16 MAOA 1689/4885MAOB 1884/4885CTRC 258/4885

“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.