SCHEMBL1990443

SCHEMBL1990443

O[C@@H]1Cc2ccccc2C[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
SLC18A3 Q16572 3/20 0.47
IDO1 P14902 2/20 0.46
SIGMAR1 Q99720 1/20 0.43
PLAU P00749 1/20 0.42

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
SCHEMBL20063792 1.00 ANPEP (0.56) ANPEPSLC18A3IDO1SIGMAR1PLAU
SCHEMBL29687690 1.00 ANPEP (0.56) ANPEPSLC18A3IDO1SIGMAR1PLAU
SCHEMBL20095994 1.00 ANPEP (0.56) ANPEPSLC18A3IDO1SIGMAR1PLAU
SCHEMBL1990446 1.00 ANPEP (0.56) ANPEPSLC18A3IDO1SIGMAR1PLAU
Naphthalene SCHEMBL8201172 0.92 ANPEP (0.50) ANPEPSLC18A3IDO1SIGMAR1
SCHEMBL6932695 0.82 ANPEP (0.47) ANPEPSLC18A3IDO1SIGMAR1
SCHEMBL11355392 0.82 ANPEP (0.68) ANPEPSLC18A3IDO1PLAU
SCHEMBL22893170 0.82 ANPEP (0.47) ANPEPSLC18A3IDO1SIGMAR1
SCHEMBL3996873 0.82 ANPEP (0.68) ANPEPSLC18A3IDO1PLAU
SCHEMBL9515317 0.82 ANPEP (0.68) ANPEPSLC18A3IDO1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378541-A1 Synthetic Epigallocatechin Gallate (EGCG) Analogs WAYNE STATE UNIVERSITY (US) 2014-12-25 US disclosed
US-20140378541-A1 Synthetic Epigallocatechin Gallate (EGCG) Analogs WAYNE STATE UNIVERSITY (US) 2014-12-25 US disclosed
US-20140378541-A1 Synthetic Epigallocatechin Gallate (EGCG) Analogs WAYNE STATE UNIVERSITY (US) 2014-12-25 US disclosed
EP-2721000-A1 SYNTHETIC EPIGALLOCATECHIN GALLATE (EGCG) ANALOGS The Royal Institution for the Advancement of Learning / McGill University (CA) 2014-04-23 EP disclosed
WO-2012171114-A1 SYNTHETIC EPIGALLOCATECHIN GALLATE (EGCG) ANALOGS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-12-20 WO disclosed
WO-2012171114-A1 SYNTHETIC EPIGALLOCATECHIN GALLATE (EGCG) ANALOGS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-12-20 WO disclosed
US-20110152210-A1 POLYPHENOL COMPOUNDS FOR INHIBITING PROTEASOME AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2011-06-23 US disclosed
US-20110152210-A1 POLYPHENOL COMPOUNDS FOR INHIBITING PROTEASOME AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2011-06-23 US disclosed
US-20110152210-A1 POLYPHENOL COMPOUNDS FOR INHIBITING PROTEASOME AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2011-06-23 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-20140378541-A1 Synthetic Epigallocatechin Gallate (EGCG) Analogs GLS2, GLS, PC ANPEP 2428/4885SLC18A3 3084/4885IDO1 3865/4885
US-20110152210-A1 POLYPHENOL COMPOUNDS FOR INHIBITING PROTEASOME AND USES THEREOF PSMC1, PSME1, PSMB1 ANPEP 1096/4885SLC18A3 4526/4885IDO1 3112/4885

“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.