SCHEMBL9967745

SCHEMBL9967745

CC(C)c1cc(Br)cc(Cl)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.72
GABRB1 P18505 4/20 0.72
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
GABRB2 P47870 3/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
GSR P00390 1/20 0.37
CYP1A2 P05177 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
FAAH O00519 1/20 0.37
HPGD P15428 1/20 0.37
GABRG2 P18507 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL3640323 0.84 GABRA1 (1.00) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL10357342 0.81 GABRA1 (0.56) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL27501997 0.80 GABRA1 (0.46) GABRA1GABRB1MEN1MAPTKMT2A
SCHEMBL4644161 0.78 GABRA1 (0.78) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL12767956 0.78 GABRA1 (0.78) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL26505939 0.78 GABRA1 (0.58) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL22004402 0.78 GABRA1 (0.44) GABRA1GABRB1MEN1MAPTKMT2A
SCHEMBL15180552 0.78 GABRA1 (0.42) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL825003 0.77 GABRA1 (0.51) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL13997556 0.77 GABRA1 (0.75) GABRA1GABRB1CA1CA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
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 1953/4885GABRB1 2502/4885CA1 4630/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD GABRA1 1953/4885GABRB1 2502/4885CA1 4630/4885

“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.