SCHEMBL3296445

SCHEMBL3296445

C=CCc1cc(C)c2c(c1O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.34
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
AKR1B1 P15121 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL10661796 0.76 IMPDH2 (0.39) ALOX5PTGS1PTGS2GAAKDM4E
SCHEMBL27642928 0.75 ALDH1A1 (0.31) GAAKDM4EMEN1KMT2AGLA
SCHEMBL3294439 0.72 GABRA1 (0.44) GAAGABRA1GABRB2MEN1KMT2A
SCHEMBL21438878 0.72 RXRA (0.41) PTGS1KDM4EMEN1KMT2AIMPDH2
SCHEMBL7185587 0.71 MEN1 (0.43) ALOX5PTGS1PTGS2GAAKDM4E
SCHEMBL9332613 0.71 GAA (0.53) ALOX5PTGS1PTGS2GAAKDM4E
SCHEMBL21730241 0.71 CA1 (0.42) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL14283804 0.71 ALOX5 (0.49) ALOX5PTGS1PTGS2GAAKDM4E
SCHEMBL331989 0.71 GAA (0.53) ALOX5PTGS1PTGS2GAAKDM4E
SCHEMBL1975607 0.70 GABRA1 (0.53) ALOX5PTGS1PTGS2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B ALOX5 1192/4885PTGS1 2603/4885PTGS2 2999/4885

“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.