SCHEMBL5110021

SCHEMBL5110021

Oc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C/C=C/c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP19A1 P11511 1/20 0.52
LCK P06239 1/20 0.47
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
PPARG P37231 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
GSK3B P49841 2/20 0.43
BACE1 P56817 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5110026 1.00 CYP1A2 (0.52) CYP1A2CYP1A1CYP19A1LCKSLC5A1
SCHEMBL22882733 0.95 CYP1A2 (0.53) CYP1A2CYP1A1CYP19A1LCKSLC5A1
SCHEMBL24074957 0.93 LCK (0.55) CYP1A2CYP1A1CYP19A1LCKKDM4E
SCHEMBL14686061 0.90 CYP1A1 (0.48) CYP1A2CYP1A1CYP19A1LCKSLC5A1
SCHEMBL3671019 0.90 LMNA (0.50) CYP1A2CYP1A1CYP19A1LCKKDM4E
SCHEMBL14686059 0.90 CYP1A1 (0.48) CYP1A2CYP1A1CYP19A1LCKSLC5A1
SCHEMBL14685934 0.90 CYP1A1 (0.48) CYP1A2CYP1A1CYP19A1LCKSLC5A1
SCHEMBL14685936 0.90 CYP1A1 (0.48) CYP1A2CYP1A1CYP19A1LCKSLC5A1
SCHEMBL24075730 0.87 MAPT (0.42) CYP1A2CYP1A1CYP19A1LCKSLC5A1
SCHEMBL26621003 0.87 MAPT (0.45) CYP1A2CYP1A1CYP19A1LCKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4429763-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS Yewsavin, Inc. (US) 2024-09-18 EP disclosed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US disclosed
WO-2023086388-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2023-05-19 WO disclosed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 US disclosed
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-09 US disclosed
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-03-10 US disclosed
US-9169230-B2 (−)-Epigallocatechin gallate derivatives for inhibiting proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2015-10-27 US disclosed
US-20140213802-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-07-31 US disclosed
US-8710248-B2 (−)-epigallocatechin gallate derivatives for inhibiting proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-04-29 US disclosed
US-20120232135-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2012-09-13 US disclosed
US-8193377-B2 (−)-epigallocatechin gallate derivatives for inhibiting proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2012-06-05 US disclosed
US-20080176931-A1 e.g. 5,7-Bis(benzyloxy)-2-[3,4,5-tris(benzyloxy)phenyl]chroman-3-yl 3-(benzyloxy)benzoate; antiproliferative, antitumor agent; reducing tumor cell growth; more potent, better bioavailability than catechin THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-07-24 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 (7 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-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR CYP1A2 45/4885CYP1A1 29/4885CYP19A1 77/4885
US-20120232135-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome PSMC1, PSME1, PSMB1 CYP1A2 3956/4885CYP1A1 2623/4885CYP19A1 1643/4885
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR CYP1A2 45/4885CYP1A1 29/4885CYP19A1 77/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR CYP1A2 45/4885CYP1A1 29/4885CYP19A1 77/4885
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME PSMC1, PSME1, PSMB1 CYP1A2 3956/4885CYP1A1 2623/4885CYP19A1 1643/4885
US-20140213802-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome PSMC1, PSME1, PSMB1 CYP1A2 3956/4885CYP1A1 2623/4885CYP19A1 1643/4885
US-20080176931-A1 e.g. 5,7-Bis(benzyloxy)-2-[3,4,5-tris(benzyloxy)phenyl]chroman-3-yl 3-(benzyloxy)benzoate; antiproliferative, antitumor agent; reducing tumor cell growth; more potent, better bioavailability than catechin UBE2G2, C9, BAP1 CYP1A2 1599/4885CYP1A1 332/4885CYP19A1 1326/4885

“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.