SCHEMBL13402797

SCHEMBL13402797

CC(=O)OC[C@H]1O[C@@H](OC2=C(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(=O)c3c(O)ccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.67
PDIA4 P13667 1/20 0.67
PDIA3 P30101 1/20 0.67
TSHR P16473 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
CYP2D6 P10635 1/20 0.52
THRB P10828 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL14106783 1.00 P4HB (0.67) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL14106804 1.00 P4HB (0.67) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL14106785 0.96 P4HB (0.65) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL13402798 0.96 P4HB (0.65) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL3961735 0.82 P4HB (0.62) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL3957917 0.82 P4HB (0.62) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL13402799 0.82 P4HB (0.60) P4HBPDIA4PDIA3TSHRCYP2D6
SCHEMBL24598883 0.82 TSHR (0.67) P4HBPDIA4PDIA3TSHRCYP2D6
SCHEMBL4609383 0.82 TSHR (0.67) P4HBPDIA4PDIA3TSHRCYP2D6
SCHEMBL7694818 0.82 TSHR (0.67) P4HBPDIA4PDIA3TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546421-B1 Oncogenic-RAS-signal dependent lethal compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-01 US disclosed
US-8546421-B1 Oncogenic-RAS-signal dependent lethal compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-01 US disclosed
US-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US disclosed
US-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 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-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds HRAS, KRAS, NRAS P4HB 4310/4885PDIA4 3567/4885PDIA3 3793/4885

“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.