SCHEMBL18822720

SCHEMBL18822720

Ic1ccc2cc(I)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
MIF P14174 1/20 0.39
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
ACHE P22303 2/20 0.33
MCL1 Q07820 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PTGS1 P23219 2/20 0.33
CA12 O43570 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL8406116 0.77 ALDH1A1 (0.47) APPMIFKDM4ECYP3A4HSD17B10
SCHEMBL2095508 0.77 APP (0.41) APPMIFKDM4ECYP3A4ACHE
SCHEMBL31031658 0.77 MAOB (0.42) APPMIFKDM4ECA12ALDH1A1
SCHEMBL28843596 0.77 APP (0.41) APPMIFKDM4ECYP3A4ACHE
SCHEMBL12778681 0.77 CA2 (0.52) APPKDM4ECYP3A4ACHEHSD17B10
SCHEMBL8290256 0.77 APP (0.44) APPMIFKDM4ECYP3A4ACHE
SCHEMBL3452249 0.73 KDM4E (0.48) KDM4EMCL1HSD17B10CA12ALDH1A1
SCHEMBL16410060 0.73 CA12 (0.59) KDM4ECYP3A4ACHEMCL1HSD17B10
SCHEMBL21688681 0.73 CYP2A6 (0.58) APPMIFKDM4EGLAMAPT
SCHEMBL13155418 0.70 GAA (0.53) APPMIFKDM4ECYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 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-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 APP 4394/4885MIF 3871/4885KDM4E 4541/4885

“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.