SCHEMBL6858630

SCHEMBL6858630

COc1ccc(OC)c(C(=O)C2C(c3ccc(F)c(O)c3)C2(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SLC9A1 P19634 5/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
TSHR P16473 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CLK1 P49759 1/20 0.37
CLK2 P49760 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
SCHEMBL6860112 0.92 MAPT (0.45) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL7127522 0.89 MAPT (0.49) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL7123543 0.89 MAPT (0.42) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL6316509 0.88 SLC9A1 (0.42) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL6861248 0.88 POLB (0.43) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL7116814 0.86 MAPT (0.42) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL6853300 0.84 ALDH1A1 (0.46) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL7127033 0.83 MAPT (0.46) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL7115887 0.83 TUBB1 (0.51) MAPTHTTNPSR1LMNAKDM4E
SCHEMBL6323162 0.82 LMNA (0.37) MAPTHTTNPSR1LMNAKDM4E

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
EP-1453783-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2004-09-08 EP disclosed
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 US disclosed
WO-2003048096-A1 SUBSTITUTED ARYL-CYCLOALKANES, AND USE THEREOF AS ANTICANCER AGENTS AVENTIS PHARMA S.A. (FR) 2003-06-12 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR MAPT 4538/4885HTT 2064/4885NPSR1 3886/4885

“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.