SCHEMBL9967744

SCHEMBL9967744

CCOc1cccc(C(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.59
GABRG2 P18507 2/20 0.59
GABRB3 P28472 2/20 0.59
GABRB2 P47870 2/20 0.59
HPGD P15428 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
FAAH O00519 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
GABRB1 P18505 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59
HTR2B P41595 1/20 0.59
GABRA2 P47869 1/20 0.59

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
SCHEMBL9206626 0.85 ALDH1A1 (0.44) GABRA1GABRG2GABRB3GABRB2HPGD
SCHEMBL18606582 0.85 L3MBTL1 (0.43) GABRA1GABRG2GABRB3GABRB2HPGD
SCHEMBL9796447 0.85 HPGD (0.43) GABRA1GABRG2GABRB3GABRB2HPGD
SCHEMBL34021 0.85 BCHE (0.47) GABRA1GABRG2GABRB3GABRB2HPGD
SCHEMBL674008 0.83 ALDH1A1 (0.52) HPGDCYP3A4LMNABLMALDH1A1
SCHEMBL9825698 0.83 ALDH1A1 (0.52) HPGDCYP3A4LMNABLMALDH1A1
SCHEMBL9460657 0.81 ALDH1A1 (0.44) HPGDALDH1A1L3MBTL1GLAKMT2A
SCHEMBL7208889 0.80 ALDH1A1 (0.43) HPGDALDH1A1L3MBTL1GLAKMT2A
SCHEMBL2737304 0.80 HPGD (0.64) GABRA1GABRG2GABRB3GABRB2HPGD
Propofol SCHEMBL4320593 0.80 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRB2HPGD

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 GABRA1 1953/4885GABRG2 2294/4885GABRB3 3175/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD GABRA1 1953/4885GABRG2 2294/4885GABRB3 3175/4885

“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.