SCHEMBL5470372

SCHEMBL5470372

COC(=O)c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
ALDH1A1 P00352 3/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ESR1 P03372 1/20 0.44
ERN1 O75460 2/20 0.44
VCAM1 P19320 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TPMT P51580 1/20 0.40

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
SCHEMBL31430607 0.93 HPGD (0.48) HPGDALDH1A1OPRK1MEN1KMT2A
SCHEMBL29190026 0.93 HPGD (0.48) HPGDALDH1A1OPRK1MEN1KMT2A
SCHEMBL14581924 0.87 HPGD (0.54) HPGDALDH1A1OPRK1MEN1KMT2A
SCHEMBL14612869 0.84 HPGD (0.51) HPGDALDH1A1OPRK1MEN1KMT2A
SCHEMBL3901403 0.83 HPGD (0.65) HPGDALDH1A1OPRK1MEN1KMT2A
SCHEMBL5924211 0.80 ESR1 (0.57) MEN1KMT2ARXFP1ESR1ERN1
SCHEMBL22689342 0.79 HPGD (0.47) HPGDALDH1A1OPRK1MEN1KMT2A
SCHEMBL12488269 0.79 HPGD (0.59) HPGDALDH1A1MEN1KMT2AERN1
Hydrochloric Acid SCHEMBL9064842 0.79 ESR1 (0.56) MEN1KMT2ARXFP1ESR1ERN1
SCHEMBL5303674 0.79 KDM4E (0.44) HPGDALDH1A1MEN1KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 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-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses HAVCR2, MAVS, EIF2AK2 HPGD 4171/4885ALDH1A1 1740/4885OPRK1 3277/4885

“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.