SCHEMBL3856414

SCHEMBL3856414

COc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@@H]3[C@H](OC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PTPN1 P18031 2/20 0.38
NT5E P21589 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL3856812 0.91 ALDH1A1 (0.46) ALDH1A1KMT2ANT5E
SCHEMBL3857852 0.86 LTA4H (0.47) MEN1KMT2ANPC1RAB9ATACR1
SCHEMBL3858031 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPT
SCHEMBL13683701 0.81 NPC1 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3862624 0.80 MEN1 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13683695 0.80 MEN1 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3855574 0.80 MEN1 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3858065 0.80 MEN1 (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14180095 0.78 LTA4H (0.40) MEN1KMT2ANPC1RAB9AFABP7
SCHEMBL9293649 0.78 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBMAPT

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-7589072-B2 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2009-09-15 US disclosed
US-7589072-B2 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2009-09-15 US disclosed
US-20060280796-A1 Inositol-based molecular transporters and processes for the preparation thereof POSTECH FOUNDATION (KR) 2006-12-14 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-20060280796-A1 Inositol-based molecular transporters and processes for the preparation thereof SLC2A8, SLC2A1, SLC29A2 ALDH1A1 2727/4885MEN1 1554/4885KMT2A 3359/4885

“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.