SCHEMBL9967702

SCHEMBL9967702

COc1cc(CCC(C)C)cc(OC)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
AKR1B1 P15121 1/20 0.54
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
TNKS2 Q9H2K2 2/20 0.51
ADRB2 P07550 2/20 0.51
STAT3 P40763 1/20 0.45
MET P08581 2/20 0.44
MAPT P10636 1/20 0.44
FOS P01100 1/20 0.43
TTR P02766 1/20 0.43
JUN P05412 1/20 0.43
NR3C1 P04150 1/20 0.43
HSD17B1 P14061 1/20 0.43

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
SCHEMBL16372690 0.83 AKR1B1 (0.71) ALOX5AKR1B1GAAKDM4EPKM
SCHEMBL9253296 0.82 HTR2A (0.60) ALOX5NFKB1NFKB2RELA
SCHEMBL8294109 0.80 TAAR1 (0.67) ALOX5GAAADRB2FOSTTR
SCHEMBL624795 0.80 FOS (0.50) ALOX5NFKB1NFKB2RELAAKR1B1
SCHEMBL17263518 0.78 AKR1B1 (0.76) ALOX5NFKB1AKR1B1GAAKMT2A
SCHEMBL223826 0.78 AKR1B1 (0.59) ALOX5AKR1B1GAAKDM4EALDH1A1
SCHEMBL15240817 0.78 TNKS2 (0.67) ALOX5AKR1B1GAAKDM4EPKM
SCHEMBL178400 0.77 STAT3 (0.67) KDM4EALDH1A1STAT3MAPT
SCHEMBL8293517 0.77 CYP3A4 (0.65) NFKB1AKR1B1GAAKMT2AADRB2
SCHEMBL25422033 0.76 AKR1B1 (0.58) ALOX5AKR1B1GAAKDM4EPKM

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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
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
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD ALOX5 3707/4885NFKB1 2198/4885NFKB2 3097/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD ALOX5 3707/4885NFKB1 2198/4885NFKB2 3097/4885

“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.