SCHEMBL3028362

SCHEMBL3028362

Fc1ccc(OC2=CC[CH]C=C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.34
HSPB1 P04792 1/20 0.34
LTA4H P09960 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR1A P08908 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
EPHX2 P34913 1/20 0.31
SCN4A P35499 2/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 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
SCHEMBL194608 0.81 LTA4H (0.42) LTA4HKMT2AKDM4EHTR1ASLC6A2
SCHEMBL3992435 0.81 ALDH1A1 (0.36) LTA4HSLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL5563927 0.81 LTA4H (0.37) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL3024881 0.80 SLC6A2 (0.37) KDM4EHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5739551 0.77 CYP1A1 (0.35) GAASLC6A2SLC6A4SLC6A3MAOB
SCHEMBL5737660 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3018854 0.75 HTR1A (0.38) HSPB1MEN1KMT2AKDM4EHTR1A
SCHEMBL4394831 0.74 HSP90AA1 (0.46) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL18741404 0.73 SLC6A2 (0.38) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4392094 0.70 ALDH1A1 (0.30) ALDH1A1

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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A SOS1 601/4885HSPB1 1309/4885LTA4H 317/4885

“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.