SCHEMBL3274613

SCHEMBL3274613

CC(C)Oc1ccc2ccccc2c1-c1c(OC(C)C)ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
IRAK4 Q9NWZ3 2/20 0.45
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR8 Q9NR97 1/20 0.42
MCHR1 Q99705 1/20 0.42
NQO1 P15559 1/20 0.41
NCEH1 Q6PIU2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NISCH Q9Y2I1 1/20 0.41
DNMT1 P26358 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL16241795 0.91 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL19222664 0.90 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL30719117 0.89 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL14232481 0.88 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL10398144 0.85 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29350914 0.83 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL29583072 0.83 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL352082 0.83 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL9224964 0.83 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL27740253 0.82 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19IRAK4

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
EP-1414833-B1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS SALTIGO GMBH (DE) 2010-06-16 EP disclosed
US-7407910-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2008-08-05 US disclosed
US-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions BAYER CHEMICALS AG (DE) 2004-09-09 US disclosed
EP-1414833-A1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS Bayer Chemicals AG (DE) 2004-05-06 EP disclosed
WO-2003011875-A1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS BAYER CHEMICALS AG (DE) 2003-02-13 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-20040176608-A1 Novel transition-metal complexes and use thereof in transition-metal catalyzed reactions AP1M1, SOD1, INTS9 MAPT 2516/4885CYP1A2 133/4885CYP2C9 162/4885

“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.