SCHEMBL4755336

SCHEMBL4755336

COCCN1C(C)=C(C(=O)O)C(CCOC)(c2ccc(Br)cc2)C(C(=O)O)=C1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CXCR3 P49682 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
HCAR3 P49019 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4755356 0.86 TSHR (0.37) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL4758273 0.74 CNR1 (0.39) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL11125337 0.74 LMNA (0.34) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL9311913 0.71 HPGD (0.39) SMN1; SMN2ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL4758044 0.69 CNR1 (0.41) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL9311773 0.68 KDM4E (0.36) SMN1; SMN2KDM4EPTGER4
SCHEMBL4756125 0.65 L3MBTL1 (0.34) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL7400371 0.62 CYP2C9 (0.43) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL6951541 0.62 LMNA (0.36) LMNASMN1; SMN2ALDH1A1KMT2AAPOBEC3A
SCHEMBL4755352 0.61 GAA (0.34) LMNASMN1; SMN2ALDH1A1KMT2AMAPT

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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 LMNA 935/4885SMN1; SMN2 2187/4885ALDH1A1 3939/4885

“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.