SCHEMBL7127522

SCHEMBL7127522

COc1ccc(C2C(C(=O)c3cc(OC)ccc3OC)C2(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
SLC9A1 P19634 1/20 0.43
CYP2C9 P11712 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL7127033 0.90 MAPT (0.46) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL7115887 0.90 TUBB1 (0.51) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL6860112 0.90 MAPT (0.45) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL6858630 0.89 MAPT (0.42) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL6853300 0.89 ALDH1A1 (0.46) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL6316509 0.88 SLC9A1 (0.42) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL7123543 0.87 MAPT (0.42) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL6314892 0.86 SLC9A1 (0.42) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL7125986 0.85 MAPT (0.49) MAPTHTTNPSR1KDM4ELMNA
SCHEMBL7116814 0.84 MAPT (0.42) MAPTHTTNPSR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 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-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.