SCHEMBL1055906

SCHEMBL1055906

CC1(C)OCc2cc(F)cc(O)c2O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
AKT1 P31749 1/20 0.30

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
SCHEMBL11113228 0.81 MAOB (0.36) MAOBALDH1A1MAPK1KMT2AAKT1
SCHEMBL1054915 0.81 ALDH1A1 (0.37) MAOBALDH1A1MAPK1KMT2A
SCHEMBL11116397 0.80 ALDH1A1 (0.35) MAOBALDH1A1MAPK1KMT2AAKT1
SCHEMBL11114171 0.80 ALOX15 (0.35) MAOBALDH1A1MAPK1KMT2AAKT1
SCHEMBL11107207 0.79 AKT1 (0.32) MAOBALDH1A1MAPK1KMT2AAKT1
SCHEMBL1057779 0.76 ERN1 (0.34) MAOBALDH1A1MAPK1KMT2A
SCHEMBL10801359 0.72 MAOB (0.37) MAOBALDH1A1MAPK1KMT2A
SCHEMBL11107152 0.72 LMNA (0.46) ALDH1A1MAPK1
SCHEMBL1052862 0.69 L3MBTL1 (0.43) MAOBMAPK1
SCHEMBL12563136 0.68 ALDH1A1 (0.40) MAOBALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872014-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-01-18 US disclosed
EP-1648455-A4 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-03-04 EP disclosed
US-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2007-02-08 US disclosed
EP-1648455-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-04-26 EP disclosed
WO-2005009389-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-02-03 WO disclosed
EP-0103173-A1 Carbamic-acid esters, process and starting material for their preparation, parasiticides containing these esters as active products, as well as the use of such esters and agents in combating parasites F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-21 EP 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-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use ALK, MALT1, BCL6 MAOB 3032/4885ALDH1A1 1285/4885MAPK1 739/4885

“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.