SCHEMBL7765979

SCHEMBL7765979

COC(=O)NCCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 4/20 0.36
FPR3 P25089 2/20 0.36
FPR2 P25090 2/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ECE1 P42892 1/20 0.35
ACHE P22303 7/20 0.34
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7769326 0.88 EPHX1 (0.57) EPHX1MAOAMAOBTSHRACHE
SCHEMBL7769388 0.86 EPHX1 (0.61) EPHX1MAOAMAOBTSHRACHE
SCHEMBL7770941 0.85 EPHX1 (0.64) EPHX1MAOAMAOBACHEMEN1
SCHEMBL7771587 0.85 EPHX1 (0.64) EPHX1MAOAMAOBACHEMEN1
SCHEMBL28275471 0.81 EPHX1 (0.48) EPHX1TSHRCA12CA14ACHE
SCHEMBL11569931 0.80 EPHX1 (0.44) EPHX1MAOAMAOBTSHRACHE
SCHEMBL7769264 0.80 ALOX15 (0.44) ACHEKMT2A
SCHEMBL3190326 0.79 EPHX1 (0.61) EPHX1TSHRACHEMEN1HSP90AA1
SCHEMBL608970 0.79 MAOA (0.60) EPHX1MAOAMAOBCA12MEN1
SCHEMBL7771525 0.79 ALOX15 (0.40) MAOAMAOBTSHRECE1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220477-A1 SITE SPECIFIC ANTIBODY-DRUG CONJUGATES WITH PEPTIDE-CONTAINING LINKERS MERSANA THERAPEUTICS, INC. 2021-07-22 US disclosed
EP-2808324-A1 PYRROLE COMPOUND Kabushiki Kaisha Yakult Honsha (JP) 2014-12-03 EP disclosed
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 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 (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-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB EPHX1 4784/4885MAOA 4428/4885MAOB 3815/4885
US-20210220477-A1 SITE SPECIFIC ANTIBODY-DRUG CONJUGATES WITH PEPTIDE-CONTAINING LINKERS CD2BP2, DNPEP, LNPEP EPHX1 2454/4885MAOA 3870/4885MAOB 3854/4885

“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.