SCHEMBL660893

SCHEMBL660893

CCC(=O)c1ccc(I)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSK3B P49841 4/20 0.42
KDR P35968 2/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL13409520 0.81 GSK3B (0.39) GSK3BKDRERCC5FEN1ALDH1A1
SCHEMBL2987114 0.79 GSK3B (0.62) GSK3BDAO
SCHEMBL1985851 0.77 GSK3B (0.70) POLBTDP1GSK3BALDH1A1HPGD
SCHEMBL17955228 0.77 TDP1 (0.51) POLBTDP1GSK3BERCC5FEN1
SCHEMBL4140001 0.77 DAO (0.59) POLBTDP1GSK3BALDH1A1HPGD
SCHEMBL3042810 0.76
SCHEMBL15221207 0.76
SCHEMBL13078179 0.75 POLB (0.58) POLBTDP1GSK3BALDH1A1HPGD
SCHEMBL847050 0.75 GSK3B (0.68) POLBTDP1GSK3BALDH1A1HPGD
SCHEMBL5737861 0.75 HDAC3 (0.58) POLBTDP1ALDH1A1HPGDCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853205-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2014-10-07 US disclosed
US-20120046280-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS UNIVERSITY OF CONNECTICUT 2012-02-23 US disclosed
EP-2398323-A1 NOVEL HETERO PYRROLE ANALOGS ACTING ON CANNAPINOID RECEPTORS University of Connecticut (US) 2011-12-28 EP disclosed
WO-2010104488-A1 NOVEL HETERO PYRROLE ANALOGS ACTING ON CANNAPINOID RECEPTORS UNIVERSITY OF CONNECTICUT (US) 2010-09-16 WO disclosed
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP 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-20120046280-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS CNR1, CNR2, CBR3 POLB 3827/4885TDP1 2759/4885GSK3B 3263/4885

“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.