SCHEMBL8960347

SCHEMBL8960347

CCc1cc(C(N)=O)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
HSPA5 P11021 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
ALOX5 P09917 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
GAA P10253 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10082434 0.87 LMNA (0.37) LMNARECQLHSPA5SMN1; SMN2ALOX5
SCHEMBL47590 0.85 LMNA (0.55) LMNARECQLSMN1; SMN2GLRA3GLRB
SCHEMBL3812720 0.84 GLRA3 (0.52) LMNARECQLHSPA5SMN1; SMN2CYP2C9
SCHEMBL8949330 0.83 TSHR (0.46) LMNASMN1; SMN2CYP2C9HSP90AA1HSP90AB1
SCHEMBL45856 0.81 LMNA (0.53) LMNARECQLSMN1; SMN2HIF1AGLRA3
SCHEMBL11697398 0.79 HSPA5 (0.49) LMNARECQLHSPA5SMN1; SMN2CYP2C9
SCHEMBL9556848 0.79 SERPINE1 (0.50) LMNARECQLHSPA5CA2CA1
SCHEMBL30924511 0.79 CYP1A2 (0.55) LMNARECQLHSPA5SMN1; SMN2CYP2C9
SCHEMBL14235584 0.77 HSP90AA1 (0.44) LMNARECQLSMN1; SMN2CYP2C9HSP90AA1
SCHEMBL28404083 0.76 HSPA5 (0.56) LMNARECQLHSPA5SMN1; SMN2CYP2C9

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-8222239-B2 quaternary ammonium compounds, conjugated to polymers, used as microbiocides ALLACCEM, INC. (US) 2012-07-17 US disclosed
US-8188068-B2 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. (US) 2012-05-29 US disclosed
US-20110015300-A1 METHODS AND SYSTEMS FOR COATING A SURFACE ALLACCEM, INC. 2011-01-20 US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 US disclosed
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 US 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 (4 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-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD LMNA 2168/4885RECQL 4649/4885HSPA5 3416/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS LMNA 669/4885RECQL 985/4885HSPA5 3636/4885
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 LMNA 312/4885RECQL 1121/4885HSPA5 2003/4885
US-20110015300-A1 METHODS AND SYSTEMS FOR COATING A SURFACE DNMT1, TET2, DNMT3A LMNA 2708/4885RECQL 1795/4885HSPA5 3234/4885

“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.