SCHEMBL995757

SCHEMBL995757

O=C=C1c2ccccc2CC2=CC=CCC12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL1646181 0.80 MAOA (0.40) MAOABCHECES1
SCHEMBL4668951 0.77 MAOA (0.32) MAOABCHECES1
SCHEMBL12668087 0.67 PGR (0.33)
SCHEMBL11775155 0.64
SCHEMBL3294807 0.63 ADRA1A (0.36)
SCHEMBL995758 0.60 MAOA (0.56) MAOABCHECES1
SCHEMBL18403517 0.59 MAOB (0.38) MAOA
SCHEMBL9154619 0.58 MAOA (0.40) MAOABCHECES1
Fluorene SCHEMBL2026496 0.57 MAOA (0.58) MAOABCHECES1
Fluorene SCHEMBL28321222 0.57 MAOA (0.58) MAOABCHECES1

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594962-B1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORP (US) 2014-08-27 EP claimed
EP-2369006-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2014-03-12 EP claimed
US-11028424-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2021-06-08 US disclosed
US-10604745-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION (US) 2020-03-31 US disclosed
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORPORATION 2019-07-18 US disclosed
US-10246690-B2 Mutant hydrolase proteins with enhanced kinetics and functional expression PROMEGA CORPORATION (US) 2019-04-02 US disclosed
US-10240184-B2 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2019-03-26 US disclosed
US-20190085305-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-03-21 US disclosed
EP-3179252-B1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORP (US) 2018-11-14 EP disclosed
US-10101332-B2 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION (US) 2018-10-16 US disclosed
US-20180223267-A1 POLYNUCLEOTIDES ENCODING MUTANT HYDROLASE PROTEINS WITH ENHANCED KINETICS AND FUNCTIONAL EXPRESSION JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-08-09 US disclosed
EP-1782071-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2007-05-09 EP disclosed
US-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor PROMEGA CORPORATION 2007-04-19 US disclosed
WO-2006093529-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2006-09-08 WO disclosed
US-20060024808-A1 Covalent tethering of functional groups to proteins and substrates therefor JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2006-02-02 US disclosed
US-20050272114-A1 Substrates for covalent tethering to proteins JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2005-12-08 US disclosed
EP-1594962-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORPORATION (US) 2005-11-16 EP disclosed
US-20040214258-A1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION 2004-10-28 US disclosed
WO-2004072232-A9 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORP (US) 2004-10-14 WO disclosed
WO-2004072232-A2 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORPORATION (US) 2004-08-26 WO 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 (9 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-20070087400-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 MAOA 3034/4885BCHE 589/4885CES1 518/4885
US-20050272114-A1 Substrates for covalent tethering to proteins DDHD2, ABHD14B, AHCYL1 MAOA 3044/4885BCHE 357/4885CES1 456/4885
US-20190085305-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE HDHD5, DDT, DDAH1 MAOA 614/4885BCHE 33/4885CES1 258/4885
US-20190218592-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS GGT1, HDHD5, DNPH1 MAOA 2321/4885BCHE 359/4885CES1 355/4885
US-10604745-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule HDHD5, DDT, DDAH1 MAOA 614/4885BCHE 33/4885CES1 258/4885
US-11028424-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 MAOA 2321/4885BCHE 359/4885CES1 355/4885
US-10101332-B2 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 MAOA 3034/4885BCHE 589/4885CES1 518/4885
US-20060024808-A1 Covalent tethering of functional groups to proteins and substrates therefor WASF2, NOTUM, YIPF5 MAOA 3034/4885BCHE 589/4885CES1 518/4885
US-10240184-B2 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 MAOA 2321/4885BCHE 359/4885CES1 355/4885

“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.