SCHEMBL2512944

SCHEMBL2512944

CC1(C)O[C@@H]2O[C@](CO)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
GSTP1 P09211 2/20 0.32
PDE4D Q08499 2/20 0.32
IDO1 P14902 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GLB1 P16278 1/20 0.30
TACR1 P25103 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL29189662 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL20406042 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL13382976 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL1059672 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL24498686 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL18999217 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL24371819 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL19221818 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL21063154 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1
SCHEMBL1096431 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATSHRGSTP1

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-8080644-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-12-20 US disclosed
US-8034909-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-10-11 US disclosed
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES EXIQON A/S (DK) 2010-11-04 US disclosed
US-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES EXIQON A/S (DK) 2010-10-21 US disclosed
US-6291670-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-09-18 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 (2 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-20100267018-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN ALDH1A1 3811/4885MEN1 4566/4885KMT2A 3747/4885
US-20100279895-A1 OLIGONUCLEOTIDE ANALOGUES POLRMT, POLM, POLN ALDH1A1 3811/4885MEN1 4566/4885KMT2A 3747/4885

“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.