SCHEMBL1144646

SCHEMBL1144646

CC1(COc2ccc(S(=O)(=O)c3cccc(OCc4ccccc4)c3)cc2)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
HTR6 P50406 1/20 0.44
AR P10275 3/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 6/20 0.43
LCK P06239 1/20 0.43
CTRC Q99895 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PGR P06401 1/20 0.41
FFAR1 O14842 1/20 0.41
MAOA P21397 3/20 0.40

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
SCHEMBL31349 0.92 CA12 (0.52) CA12CA1CA2CA4CA5A
SCHEMBL6301749 0.83 MAOB (0.48) CA12CA1CA2CA7CA9
SCHEMBL1228633 0.82 PTGS1 (0.51) LMNAMAOBHTR2BTMEM97SIGMAR1
SCHEMBL9405446 0.82 CA12 (0.51) CA12CA1CA2CA4CA5A
SCHEMBL8611881 0.82 PKM (0.49) MAOBFFAR1
SCHEMBL5707066 0.81 CA12 (0.43) CA12CA1CA2CA4CA5A
SCHEMBL6736842 0.80 GSTP1 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL8614904 0.78 PKM (0.41) CA12CA1CA2CA4CA5A
SCHEMBL7720231 0.77 PKM (0.51) CA12CA1CA2CA9LMNA
SCHEMBL9260073 0.77 CA12 (0.72) CA12CA1CA2CA4CA5A

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-8420568-B2 Color-developing compositions and recording material containing same NIPPON SODA CO., LTD. (JP) 2013-04-16 US disclosed
US-20110045973-A1 COLOR-DEVELOPING COMPOSITIONS AND RECORDING MATERIAL CONTAINING SAME Nippon Soda Ltd. (JP) 2011-02-24 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-20110045973-A1 COLOR-DEVELOPING COMPOSITIONS AND RECORDING MATERIAL CONTAINING SAME CDY1; CDY1B, DDX41, DHX30 CA12 935/4885CA1 295/4885CA2 885/4885

“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.