SCHEMBL2124758

SCHEMBL2124758

OCCCc1cc(I)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
CA2 P00918 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36
BACE1 P56817 1/20 0.36
ALOX15 P16050 2/20 0.33
IGF1R P08069 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AKR1B1 P15121 1/20 0.33
TYR P14679 1/20 0.32
KLF10 Q13118 1/20 0.32
MEN1 O00255 1/20 0.32
SLC22A1 O15245 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL15586578 0.82 TYR (0.52) ERN1MAPTKDM4EALDH1A1ALOX5
SCHEMBL11587871 0.79 TYR (0.54) MAPTKDM4EALDH1A1ALOX5ALOX15
SCHEMBL2987385 0.79 TYR (0.47) CA2MAPTKDM4EALDH1A1ALOX5
SCHEMBL2120782 0.79 KLF10 (0.50) ERN1MAPTALOX15KLF10MEN1
SCHEMBL9467640 0.78 ALOX5 (0.50) ERN1MAPTALOX5BACE1TYR
SCHEMBL2122564 0.76 TSHR (0.46) ERN1CA2KDM4EALDH1A1ALOX15
SCHEMBL9277050 0.76 AMY1A (0.53) MAPTALDH1A1GAABACE1ALOX15
SCHEMBL11042437 0.76 PRKCI (0.52) CA2MAPTKDM4EALDH1A1ALOX5
SCHEMBL6491986 0.74 TNKS2 (0.44) KDM4EMTNR1AMTNR1BSLC6A4
SCHEMBL31596382 0.73 TYR (0.47) MAPTKDM4EALDH1A1ALOX5GAA

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-20120094939-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF BOSTON UNIVERSITY 2012-04-19 US disclosed
US-20120094939-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF BOSTON UNIVERSITY 2012-04-19 US disclosed
US-20120094939-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF BOSTON UNIVERSITY 2012-04-19 US disclosed
WO-2008124571-A2 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-16 WO disclosed
WO-2008124571-A2 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-16 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-20120094939-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS HAVCR2, EIF2AK2, RPL35 ERN1 1211/4885CA2 4229/4885MAPT 3497/4885

“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.