SCHEMBL15920997

SCHEMBL15920997

CCCC(F)(F)CCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.34
MAPK1 P28482 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PTPN1 P18031 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31

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
SCHEMBL15920999 0.93 TDP1 (0.36) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL8157644 0.84 TDP1 (0.42) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL31075302 0.77 TDP1 (0.40) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL1771995 0.76 TDP1 (0.41) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL31610 0.75 TDP1 (0.47) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL7220622 0.75 POLB (0.38) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL4613905 0.75 TDP1 (0.50) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL5356481 0.74 TDP1 (0.45) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL6848284 0.74 TDP1 (0.45) TDP1MEN1KMT2APOLBL3MBTL1
SCHEMBL24065910 0.74 POLB (0.37) TDP1MEN1KMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670189-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-06 US disclosed
EP-2951173-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-05-17 EP disclosed
EP-2951173-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-09 EP disclosed
US-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2015-12-03 US disclosed
WO-2014117948-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2014-08-07 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 (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-20150344496-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS TYMP, PDE4A, DPYD TDP1 69/4885MEN1 3652/4885KMT2A 2687/4885

“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.