SCHEMBL3290673

SCHEMBL3290673

C=CCc1cc(Cl)c2ccccc2c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1811826 0.84 HIF1A (0.46) ALDH1A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL5808907 0.83 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL3295010 0.78 NPC1 (0.47) ALDH1A1L3MBTL1MAPTLMNATDP1
SCHEMBL7562101 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL5879447 0.77 BCHE (0.47) ALDH1A1L3MBTL1MAPTTDP1GAA
SCHEMBL3291657 0.76 GLRA1 (0.37) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL30681593 0.75 BCHE (0.50) ALDH1A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL30681594 0.75 BCHE (0.50) ALDH1A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL16684894 0.75 ALOX5AP (0.41) ALDH1A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL3291010 0.74 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTCYP1A2CYP3A4

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 ALDH1A1 185/4885L3MBTL1 4064/4885MAPT 1562/4885

“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.