SCHEMBL616451

SCHEMBL616451

CCOCCN(C=O)CC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
THRA P10827 1/20 0.30

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
SCHEMBL2498188 0.93 ALOX15 (0.41) ALOX15ALDH1A1MEN1POLBKMT2A
SCHEMBL9574397 0.88 ALOX15 (0.39) ALOX15ALDH1A1TSHRTHRA
SCHEMBL11372483 0.86 ALOX15 (0.38) ALOX15ALDH1A1TSHR
SCHEMBL23085416 0.85 ALOX15 (0.34) ALOX15MEN1POLBKMT2A
SCHEMBL11371637 0.81 MEN1 (0.37) ALOX15MEN1POLBKMT2A
SCHEMBL615537 0.81
SCHEMBL21782530 0.77 CA12 (0.43) ALOX15ALDH1A1TSHRTHRA
SCHEMBL616077 0.76
SCHEMBL2500023 0.76 ADH1A (0.33) ALOX15MEN1POLBKMT2A
SCHEMBL4634889 0.74 ALDH1A1 (0.47) ALOX15ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3766877-A1 INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2021-01-20 EP disclosed
US-8466287-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2013-06-18 US disclosed
US-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2012-02-16 US disclosed
US-8067595-B2 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2011-11-29 US disclosed
US-20090023927-A1 Process for producing tricyclic ketone KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-01-22 US disclosed
EP-1900740-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE Kabushiki Kaisha Yakult Honsha (JP) 2008-03-19 EP disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed
US-4251262-A 1-Carbamoyl-1,2,4-triazole herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1981-02-17 US disclosed
US-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 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-20120041204-A1 PROCESS FOR PRODUCING TRICYCLIC KETONE TKT, DCK, COASY ALOX15 2906/4885ALDH1A1 1539/4885MEN1 2378/4885
US-20090023927-A1 Process for producing tricyclic ketone TKT, DCK, COASY ALOX15 2906/4885ALDH1A1 1539/4885MEN1 2378/4885

“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.