SCHEMBL5485683

SCHEMBL5485683

O=C(OCC1c2ccccc2-c2ccccc21)N1CC2OC2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
EPHX2 P34913 1/20 0.43
F10 P00742 2/20 0.43
POLB P06746 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 3/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 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
SCHEMBL1818325 0.84 KMT2A (0.39) KMT2AFABP5FABP7EPHX2F10
SCHEMBL1819102 0.84 FABP5 (0.43) KMT2AFABP5FABP7EPHX2F10
SCHEMBL1821049 0.84 KMT2A (0.39) KMT2AFABP5FABP7EPHX2F10
SCHEMBL119453 0.84 FABP5 (0.52) KMT2AFABP5FABP7EPHX2F10
SCHEMBL13327274 0.83 POLB (0.52) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL22397770 0.83 POLB (0.52) KMT2AFABP5FABP7EPHX2POLB
SCHEMBL14428331 0.83 KMT2A (0.49) KMT2AFABP5FABP7EPHX2F10
SCHEMBL6855032 0.83 KMT2A (0.46) KMT2AFABP5FABP7EPHX2F10
SCHEMBL7926629 0.83 KMT2A (0.46) KMT2AFABP5FABP7EPHX2F10
SCHEMBL28891959 0.83 KMT2A (0.46) KMT2AFABP5FABP7EPHX2F10

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-1753862-B1 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM MESO-EPOXIDES CSIR (ZA) 2015-11-18 EP disclosed
US-20070275448-A1 Methods For Obtaining Optically Active Epoxides And Vicinal Diols From Meso-Epoxides CSIR (ZA) 2007-11-29 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 US disclosed
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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 (3 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD KMT2A 1997/4885FABP5 4837/4885FABP7 4861/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 KMT2A 1633/4885FABP5 4658/4885FABP7 4841/4885
US-20070275448-A1 Methods For Obtaining Optically Active Epoxides And Vicinal Diols From Meso-Epoxides EPHX2, EPHX1, DHODH KMT2A 2603/4885FABP5 2838/4885FABP7 3636/4885

“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.