SCHEMBL2045876

SCHEMBL2045876

CCc1ccc(OC)cc1O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
ESR1 P03372 1/20 0.57
CYP19A1 P11511 1/20 0.57
ESR2 Q92731 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TRIM24 O15164 1/20 0.53
TYR P14679 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSP90AA1 P07900 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ERN1 O75460 1/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL12806594 0.89 LTA4H (0.57) POLBESR1CYP19A1ESR2NPC1
SCHEMBL51705 0.85 POLB (0.61) POLBESR1CYP19A1ESR2NPC1
SCHEMBL921465 0.85 POLB (0.47) POLBESR1CYP19A1ESR2TYR
SCHEMBL13690496 0.84 POLB (0.65) POLBESR1CYP19A1ESR2NPC1
SCHEMBL805304 0.83 MTNR1A (0.55) POLBESR1ESR2NPC1RAB9A
SCHEMBL135264 0.83 POLB (0.59) POLBESR1CYP19A1ESR2NPC1
SCHEMBL3296862 0.82 POLB (0.73) POLBESR1CYP19A1ESR2NPC1
SCHEMBL30335932 0.82 POLB (0.73) POLBESR1CYP19A1ESR2NPC1
SCHEMBL28691182 0.82 POLB (0.62) POLBESR1CYP19A1ESR2NPC1
SCHEMBL639119 0.82 POLB (0.57) POLBESR1CYP19A1ESR2NPC1

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN claimed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN claimed
US-20050147640-A1 Noctuid attractant composition BIOGLOBAL PTY. LTD. (AU) 2005-07-07 US claimed
EP-1469728-A1 NOCTUID ATTRACTANT COMPOSITION Bioglobal Limited (AU) 2004-10-27 EP claimed
WO-2003055308-A1 NOCTUID ATTRACTANT COMPOSITION BIOGLOBAL LIMITED (AU) 2003-07-10 WO claimed
CN-115894425-A Fused tricyclic compound, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN disclosed
CN-115040497-A Application of paeonol derivative in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-09-13 CN disclosed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN disclosed
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
CN-107501073-A Primin derivative and its synthetic method and application 西北大学 2017-12-22 CN disclosed
US-20170298056-A1 SMALL MOLECULE INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-10-19 US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
WO-2003055308-A1 NOCTUID ATTRACTANT COMPOSITION BIOGLOBAL LIMITED (AU) 2003-07-10 WO disclosed
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2003-05-08 US disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 WO disclosed
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 WO 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 (3 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-20170298056-A1 SMALL MOLECULE INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CCR5, CCR1 POLB 2783/4885ESR1 2837/4885CYP19A1 4426/4885
US-20030087891-A1 2-Amino-6-(2,4,5-substituted-phenyl)-pyridines PNMT, HTR6, HTR2C POLB 4598/4885ESR1 2339/4885CYP19A1 2978/4885
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 POLB 3298/4885ESR1 2320/4885CYP19A1 756/4885

“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.