SCHEMBL7564043

SCHEMBL7564043

Cc1ccc(C(=O)OC(C)(C)C)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL29149086 0.86 NPC1 (0.39) CISD2CA12CA1CA2CA9
SCHEMBL3842336 0.84 L3MBTL1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL6351061 0.84 CSNK2A1 (0.41) CISD2NPC1RAB9AMEN1KMT2A
SCHEMBL16426100 0.83 NPC1 (0.40) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL7594883 0.83 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL12301378 0.82 KMT2A (0.44) CISD2NPC1RAB9AHTTMEN1
SCHEMBL1578885 0.81 GABRA1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL22366366 0.81 FLT1 (0.43) CA12CA1CA2CA9RAB9A
SCHEMBL14329237 0.81 GABRG2 (0.43) CA12CA1CA2CA9CA14
SCHEMBL13171452 0.81 CA12 (0.39) CA12CA1CA2CA9CA14

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-8962779-B2 Method of forming polyaryl polymers DOW GLOBAL TECHNOLOGIES LLC (US) 2015-02-24 US disclosed
US-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction SCHERING AG 2002-05-02 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-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction TNNI3, NPR1, LPXN CISD2 2363/4885CA12 2329/4885CA1 1288/4885

“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.