SCHEMBL16638505

SCHEMBL16638505

CCOc1ccc(NC(=O)CN2CCOCC2)cc1C(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL9967741 0.89 TDP1 (0.58) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL256087 0.86 MEN1 (0.59) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL9967740 0.84 SMN1; SMN2 (0.61) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL19016264 0.75 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL16638506 0.75 L3MBTL1 (0.59) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL10239972 0.75 RORC (0.67) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL22793773 0.74 ATM (0.68) ALDH1A1HPGDALOX15MAPK1ATM
SCHEMBL16638507 0.74 L3MBTL1 (0.57) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL257065 0.74 TDP1 (0.60) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL16099017 0.74 WNT3A (0.69) ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 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 (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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD ALDH1A1 333/4885HPGD 130/4885ALOX15 3218/4885

“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.