SCHEMBL7127032

SCHEMBL7127032

COc1ccc(OC)c(C(=O)C2CC2c2ccc(N(C)C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
TLR9 Q9NR96 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.41
ITK Q08881 1/20 0.41

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
SCHEMBL7117354 0.93 TUBB1 (0.51) TUBB1MEN1KMT2ALMNACYP1A2
SCHEMBL7115925 0.90 TUBB1 (0.47) TUBB1MEN1KMT2ALMNACYP1A2
SCHEMBL7128967 0.90 MAPT (0.55) TUBB1MEN1KMT2ALMNAMAPT
SCHEMBL7122821 0.89 TUBB1 (0.49) TUBB1MEN1KMT2ALMNACYP1A2
SCHEMBL7124473 0.88 TUBB1 (0.47) TUBB1MEN1KMT2ALMNACYP1A2
SCHEMBL7119953 0.84 MAPT (0.46) TUBB1MEN1KMT2ALMNATSHR
SCHEMBL7127212 0.83 MAPT (0.49) MEN1KMT2ALMNATSHRMAPT
SCHEMBL6322457 0.83 MAPT (0.43) TUBB1MEN1KMT2ALMNAMAPT
SCHEMBL6860019 0.82 TUBB4A (0.51) TUBB1MEN1KMT2ALMNATSHR
SCHEMBL7127190 0.82 MAPT (0.50) TUBB1LMNAMAPTKDM4ENPC1

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 TUBB1 1801/4885MEN1 2077/4885KMT2A 877/4885

“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.