SCHEMBL3105855

SCHEMBL3105855

CC(C)(C)c1cccc([O])c1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
P2RX7 Q99572 1/20 0.36
MAPK14 Q16539 5/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.33
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2199206 0.83 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2799903 0.77 P2RX7 (0.53) MEN1KMT2AP2RX7
SCHEMBL19785374 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1535127 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL78891 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL395531 0.75 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9662651 0.75 PTGES2 (0.41) CA2ALDH1A1TSHRTDP1MEN1
SCHEMBL2265059 0.74 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL9626847 0.74 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL24008327 0.74 GABRA1 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 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 (2 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CA2 169/4885GABRA1 399/4885GABRB2 285/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CA2 169/4885GABRA1 399/4885GABRB2 285/4885

“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.