SCHEMBL2515239

SCHEMBL2515239

O=C1C=C(Cc2ccccc2)C(=O)C=C1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
PTPN1 P18031 1/20 0.64
CALM1 P0DP23 1/20 0.52
TEK Q02763 1/20 0.47
PARK7 Q99497 1/20 0.47
MEN1 O00255 1/20 0.44
NSD2 O96028 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DAO P14920 1/20 0.39
IDH1 O75874 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL10783378 0.83 TEK (0.59) MAOAMAOBPTPN1TEKMEN1
SCHEMBL1872240 0.82 MAOA (1.00) MAOAMAOBPTPN1CALM1TEK
Hydrochloric Acid SCHEMBL28528717 0.81 MAOA (0.96) MAOAMAOBPTPN1CALM1TEK
SCHEMBL9588537 0.81 PTPN1 (0.76) MAOAMAOBPTPN1TEKPARK7
Methane SCHEMBL16817136 0.81 MAOA (0.96) MAOAMAOBPTPN1CALM1TEK
Bromide SCHEMBL27336436 0.81 MAOA (0.96) MAOAMAOBPTPN1CALM1TEK
SCHEMBL11322423 0.79 PTPN1 (1.00) MAOAMAOBPTPN1TEKPARK7
Hydrochloric Acid SCHEMBL11845383 0.78 MAOA (0.89) MAOAMAOBPTPN1CALM1TEK
SCHEMBL8545286 0.75 PTPN1 (0.53) MAOAMAOBPTPN1CALM1TEK
SCHEMBL991827 0.73 MAOA (0.50) MAOAMAOBPTPN1

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 14 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
EP-0158882-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1987-12-16 EP disclosed
EP-0144580-B1 TRIPHENDIOXAZINE DYES BAYER AG (DE) 1987-07-08 EP disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4591643-A Triphendioxazine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-27 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
EP-0158882-A2 Triphenedioxazine dyes BAYER AG (DE) 1985-10-23 EP disclosed
EP-0144580-A2 Triphendioxazine dyes BAYER AG (DE) 1985-06-19 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 1884/4885PTPN1 4186/4885

“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.