SCHEMBL3579232

SCHEMBL3579232

CCOc1cccc(C=O)c1OC1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
SRC P12931 1/20 0.39
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 2/20 0.38
IGF1R P08069 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GSK3A P49840 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 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
SCHEMBL26091928 0.90 POLB (0.40) POLBALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL26093430 0.87 POLB (0.42) POLBALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL2818914 0.84 SRC (0.55) ALDH1A1HPGDLMNASRCTLR2
SCHEMBL181586 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL29922833 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL1253039 0.81 CA1 (0.54) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL28228828 0.80 LMNA (0.47) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL636344 0.79 SRC (0.52) POLBALDH1A1LMNASRCTLR2
SCHEMBL7494720 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL638265 0.78 SRC (0.51) POLBALDH1A1HPGDLMNASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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 (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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 POLB 4421/4885ALDH1A1 934/4885SMN1; SMN2 1968/4885

“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.