SCHEMBL13675862

SCHEMBL13675862

COc1ccc(CCCC2OC(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 2/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL12903684 0.83 HRH3 (0.34) CALM1KMT2AALDH1A1
SCHEMBL13146337 0.80 CHRM2 (0.60) KDM4EKMT2AALDH1A1POLB
SCHEMBL8803380 0.78 CALM1 (0.51) CALM1TAAR1IGF1RALOX15ALOX5
SCHEMBL244070 0.75 CALM1 (0.79) CALM1TAAR1IGF1RALOX15ALOX5
SCHEMBL4254058 0.75 CALM1 (0.72) CALM1TAAR1IGF1RALOX15ALOX5
SCHEMBL11007798 0.73 CALM1 (0.69) CALM1TAAR1IGF1RALOX15ALOX5
SCHEMBL17400406 0.73 CALM1 (0.69) CALM1TAAR1IGF1RALOX15ALOX5
SCHEMBL9509173 0.73 CALM1 (0.69) CALM1TAAR1IGF1RALOX15ALOX5
SCHEMBL10571532 0.73 CALM1 (0.69) CALM1TAAR1IGF1RALOX15ALOX5
SCHEMBL10697670 0.73 CALM1 (0.50) CALM1TAAR1IGF1RALOX15KMT2A

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-7598240-B2 Benzothiazin-3-one compound and intermediate therefor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-06 US disclosed
US-20080058321-A1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-03-06 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 (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-20080058321-A1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR HDAC11, HDAC8, MMP11 CALM1 3545/4885TAAR1 4526/4885IGF1R 3850/4885

“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.