SCHEMBL3961735

SCHEMBL3961735

CC(=O)OC[C@H]1OC(Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 3/20 0.62
PDIA4 P13667 2/20 0.62
PDIA3 P30101 2/20 0.62
TSHR P16473 1/20 0.50
PRKCA P17252 1/20 0.47
AKT1 P31749 1/20 0.47
PTK2 Q05397 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA5B Q9Y2D0 2/20 0.47

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
SCHEMBL3957917 1.00 P4HB (0.62) P4HBPDIA4PDIA3TSHRPRKCA
SCHEMBL14106783 0.82 P4HB (0.67) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL13402797 0.82 P4HB (0.67) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL14106804 0.82 P4HB (0.67) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL13402795 0.81 P4HB (0.61) P4HBPDIA4PDIA3TSHRPRKCA
SCHEMBL6690906 0.81 P4HB (0.53) P4HBPDIA4PDIA3TSHRPRKCA
SCHEMBL13402799 0.81 P4HB (0.60) P4HBPDIA4PDIA3TSHR
SCHEMBL13402798 0.81 P4HB (0.65) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL14106785 0.81 P4HB (0.65) P4HBPDIA4PDIA3TSHRCA12
SCHEMBL13402804 0.79 P4HB (0.86) P4HBPDIA4PDIA3TSHRCA12

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-7563592-B2 Alizarin-based chromogenic substrates, their uses and composition containing same BIOMERIEUX, S.A. (FR) 2009-07-21 US disclosed
US-20060172364-A1 Novel chromogenic substrates based on Alizarin, their applications and formulations containing such substrates ARMSTRONG LYLE 2006-08-03 US disclosed
US-7052863-B2 Alizarin-based chromogenic substrates, their uses and composition containing same BIOMERIEUX S. A. (FR) 2006-05-30 US disclosed
US-20030082667-A1 Novel alizarin-based chromogenic substrates, their uses and composition containing same BIOMERIEUX S.A. (FR) 2003-05-01 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 (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-20030082667-A1 Novel alizarin-based chromogenic substrates, their uses and composition containing same ALPL, MLX, ASPH P4HB 2870/4885PDIA4 4735/4885PDIA3 4766/4885
US-20060172364-A1 Novel chromogenic substrates based on Alizarin, their applications and formulations containing such substrates ALPL, ALPG, ALPP P4HB 4318/4885PDIA4 4587/4885PDIA3 4554/4885

“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.