SCHEMBL813189

SCHEMBL813189

O=C(O)c1c(O)cccc1-c1ccc2c(c1-c1cccc(O)c1C(=O)O)Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SRD5A2 P31213 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GSR P00390 1/20 0.44
PNMT P11086 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HTR2B P41595 3/20 0.42
HTR7 P34969 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.39
SRD5A1 P18405 1/20 0.39
PGR P06401 1/20 0.37
HTR2C P28335 2/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37

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
SCHEMBL529412 0.84 SRD5A2 (0.50) CA12CA1CA2CA7CA9
Benzene SCHEMBL18983267 0.83 PNMT (0.45) CA1CA2SRD5A2NPC1RAB9A
SCHEMBL31623885 0.81 PNMT (0.46) CA1CA2SRD5A2NPC1RAB9A
SCHEMBL442712 0.81 PNMT (0.46) CA1CA2SRD5A2NPC1RAB9A
SCHEMBL28283976 0.80 PNMT (0.46) CA1CA2SRD5A2NPC1RAB9A
Phenol SCHEMBL4631641 0.80 PNMT (0.42) CA12CA1CA2CA9CA14
SCHEMBL28726831 0.78 PNMT (0.47) CA1CA2SRD5A2NPC1RAB9A
SCHEMBL19326641 0.78 PNMT (0.47) CA1CA2NPC1RAB9APNMT
SCHEMBL30163133 0.77 PNMT (0.52) CA1CA2SRD5A2NPC1RAB9A
SCHEMBL8840926 0.77 ALDH1A1 (0.46) CA1CA2SRD5A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010359-A1 SALICYLATE SUBSTITUTED CONJUGATED POLYMERS AND DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-8052894-B2 Salicylate substituted conjugated polymers and devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-08 US disclosed
US-20090001324-A1 Salicylate Substituted Conjugated Polymers and Devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
WO-2006060437-A2 SALICYLATE SUBSTITUTED CONJUGATED POLYMERS AND DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 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 (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-20090001324-A1 Salicylate Substituted Conjugated Polymers and Devices TLR9, TLR5, TLR1 CA12 2214/4885CA1 2976/4885CA2 3233/4885

“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.