SCHEMBL6931092

SCHEMBL6931092

C=Cc1cccc(OC(C)C)c1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 4/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NFE2L2 Q16236 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3861184 0.91 NFE2L2 (0.33) MCHR1IRAK4CA1CA2CA7
SCHEMBL16961106 0.89 NFE2L2 (0.45) ALDH1A1MEN1KMT2ANFE2L2MAPT
SCHEMBL6365322 0.89 NFE2L2 (0.44) ALDH1A1MEN1KMT2ANFE2L2MAPT
SCHEMBL16953917 0.85 GSK3A (0.38) MCHR1IRAK4ALDH1A1ACHEMEN1
SCHEMBL7194918 0.85 NFE2L2 (0.45) MCHR1IRAK4CA1CA2CA7
SCHEMBL16960343 0.84 KCNK3 (0.40) MCHR1IRAK4CA1CA2CA7
SCHEMBL677042 0.83 MCHR1 (0.38) MCHR1IRAK4CA1CA2CA7
SCHEMBL14843107 0.83 MAPT (0.33) IRAK4ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL419697 0.82 ALDH1A1 (0.43) MCHR1IRAK4ALDH1A1ACHEMEN1
SCHEMBL22476163 0.81 SCN4A (0.38) ALDH1A1LMNACYP1A2CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108201934-B Stone grinding device for engineering and working method thereof XUZHOU INSTITUTE OF TECHNOLOGY (CN) 2019-12-10 CN disclosed
EP-1371657-A1 Transition-metal complexes and use thereof in transition-metal catalysed reactions.. Bayer Aktiengesellschaft (DE) 2003-12-17 EP disclosed
US-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions BAYER AKTIENGESELLSCHAFT (DE) 2003-11-27 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-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions AP1M1, AP3M1, CYC1 MCHR1 2498/4885IRAK4 4025/4885CA1 327/4885

“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.