SCHEMBL864719

SCHEMBL864719

Oc1cc2cccc3ccc4c5ccccc5c(O)c1c4c32

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.55
ERBB2 P04626 1/20 0.55
FYN P06241 1/20 0.55
MAOA P21397 1/20 0.55
ACHE P22303 1/20 0.55
AHR P35869 1/20 0.55
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
THRB P10828 2/20 0.50
TRPM4 Q8TD43 1/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
DNMT1 P26358 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MCL1 Q07820 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HPRT1 P00492 1/20 0.39

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
SCHEMBL28211262 0.82 ALDH1A1 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL31229442 0.82 CYP1A2 (0.47) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3798629 0.80 CYP1A2 (0.60) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4850561 0.79 CYP1A2 (0.69) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1129586 0.79 ALDH1A1 (0.59) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL7996318 0.77 CYP1A2 (0.67) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29413067 0.77 CYP1A2 (0.60) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL6576411 0.77 CYP1A2 (0.55) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL9959872 0.77 PTPN22 (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL3343900 0.77 CYP1A2 (0.60) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110155157-A1 CIGARETTE FILTER CONTAINING ROSEMARY EXTRACT AND A METHOD OF REDUCING DNA DAMAGE CAUSED BY HARMFUL AGENTS IN CIGARETTE SMOKE BY USE OF SAID FILTER EMAMI IMAN 2011-06-30 US claimed
CN-118749699-A Non-tobacco leaf traditional Chinese medicine cigarette substitute formula product and preparation method and application thereof 江西新郎中养生有限公司 2024-10-11 CN disclosed
US-9944951-B2 Chromosome 3p21.3 genes are tumor suppressors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-04-17 US disclosed
US-9938587-B2 Methods and kits for determining DNA repair capacity MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-04-10 US disclosed
EP-2283112-B1 COMPOSITIONS COMPRISING PRFA*MUTANT LISTERIA AND METHODS OF USE THEREOF ADURO BIOTECH (US) 2016-10-12 EP disclosed
US-20160039852-A1 THERAPEUTIC USES OF BISPHOSPHONATES THE UNIVERSITY OF SHEFFIELD (GB) 2016-02-11 US disclosed
EP-2981268-A1 THERAPEUTIC USES OF BISPHOSPHONATES The University Of Sheffield (GB) 2016-02-10 EP disclosed
WO-2014162123-A1 THERAPEUTIC USES OF BISPHOSPHONATES THE UNIVERSITY OF SHEFFIELD (GB) 2014-10-09 WO disclosed
WO-2014162124-A1 THERAPEUTIC USES OF BISPHOSPHONATES THE UNIVERSITY OF SHEFFIELD (GB) 2014-10-09 WO disclosed
US-20140227701-A1 METHODS AND KITS FOR DETERMINING DNA REPAIR CAPACITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-08-14 US disclosed
WO-1996039818-A1 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS CERUS CORPORATION (US) 1996-12-19 WO disclosed
US-5559250-A 5-/N,N-BIS/2-CHLOROETHYL/AMINO/METHYL-8-METHOXYPSORALEN STERITECH, INC. (US) 1996-09-24 US disclosed
WO-1996023895-A1 DETECTING DNA DAMAGE, MEASURING DNA REPAIR RATES, AND MONITORING DNA REPAIR ENZYME ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-08-08 WO disclosed
WO-1996014737-A1 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS CERUS CORPORATION (US) 1996-05-23 WO disclosed
WO-1993010266-A1 DEVICE AND METHOD FOR DETECTION OF COMPOUNDS WHICH INTERCALATE WITH NUCLEIC ACIDS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1993-05-27 WO disclosed
US-4959309-A Fast photochemical method of labelling nucleic acids for detection purposes in hybridization assays MOLECULAR DIAGNOSTICS, INC. (US) 1990-09-25 US disclosed
US-4923813-A HYBRIDOMAS AMERICAN HEALTH FOUNDATION (US) 1990-05-08 US disclosed
EP-0187332-B1 PHOTOCHEMICAL METHOD OF LABELLING NUCLEIC ACIDS FOR DETECTION IN HYBRIDIZATION ASSAYS MOLECULAR DIAGNOSTICS, INC. (US) 1989-02-01 EP disclosed
US-4794073-A Detection of nucleic acid hybrids by prolonged chemiluminescence MOLECULAR DIAGNOSTICS, INC. (US) 1988-12-27 US disclosed
US-4563417-A MEDICAL DIAGNOSIS MILES LABORATORIES, INC. (US) 1986-01-07 US disclosed