SCHEMBL1649253

SCHEMBL1649253

O=Cc1cccc2c1CCOC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.47
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CDK2 P24941 4/20 0.35
DYRK1A Q13627 5/20 0.35
DYRK1B Q9Y463 5/20 0.35
DYRK2 Q92630 4/20 0.35
MAPT P10636 1/20 0.35
ERN1 O75460 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL11453548 0.81 KCNJ1 (0.64) KCNJ1ALDH1A1KMT2AMEN1LMNA
SCHEMBL29386706 0.77 KDM4E (0.41) KMT2AMEN1LMNATHRBBLM
SCHEMBL6187776 0.77 KDM4E (0.41) KMT2AMEN1LMNATHRBBLM
SCHEMBL4141000 0.76 PARP1 (0.51) ALDH1A1KMT2AMEN1LMNAMAOA
SCHEMBL17128311 0.76 PARP10 (0.51) ALDH1A1KMT2AMAOAMAOBCDK2
SCHEMBL29112927 0.76 MAOA (0.53) KCNJ1ALDH1A1MAOAMAOBCDK2
SCHEMBL31659526 0.76 TYMS (0.40) ALDH1A1KMT2AMEN1MAOAMAOB
SCHEMBL11741399 0.74 CYP2A6 (0.46) KCNJ1ALDH1A1KMT2AMEN1LMNA
SCHEMBL15676499 0.73 MAOB (0.38) KCNJ1ALDH1A1KMT2AMEN1LMNA
SCHEMBL13078852 0.73 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1LMNAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2024-03-07 US disclosed
CN-117257770-A Transdermal patch for resisting hepatitis B virus and preparation method and application thereof 泰州市药品检验院(泰州市药品和医疗器械不良反应监测中心) 2023-12-22 CN disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
US-11744812-B2 Methods of treatment FIRST WAVE BIO, INC. (US) 2023-09-05 US disclosed
US-20230201143-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2023-06-29 US disclosed
WO-2023118074-A1 COMPRESSIBLE AND FREE FLOWING CO-PROCESSED MESOPOROUS SILICA UNIVERZA V LJUBLJANI (SI) 2023-06-29 WO disclosed
US-20230190684-A1 METHODS OF TREATING COVID-19 WITH A NICLOSAMIDE COMPOUND FIRST WAVE BIO, INC. 2023-06-22 US disclosed
US-20230102999-A1 DEUTERATED NICLOSAMIDE FIRST WAVE BIO, INC. 2023-03-30 US disclosed
US-11564896-B2 Methods of treatment FIRST WAVE BIO, INC. (US) 2023-01-31 US disclosed
EP-4045480-A1 PHARMACEUTICAL FORMULATIONS First Wave Bio, Inc. (US) 2022-08-24 EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
CN-101239982-B Alkaloids compounds with hepatitis virus resisting activity TIANJIN INST PHARM RESEARCH 2010-08-11 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
CN-101291651-A External composition for hair growth AMOREPACIFIC CORP (KR) 2008-10-22 CN disclosed
CN-101239982-A Alkaloids compounds with hepatitis virus resisting activity TIANJIN INST PHARM RESEARCH (CN) 2008-08-13 CN disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
JP-2008001602-A SKIN CARE COMPOSITION KAO CORP 2008-01-10 JP disclosed
WO-2007046577-A1 EXTERNAL COMPOSITION FOR HAIR GROWTH AMOREPACIFIC CORPORATION (KR) 2007-04-26 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 (9 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KCNJ1 1645/4885ALDH1A1 2240/4885KMT2A 1108/4885
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 KCNJ1 362/4885ALDH1A1 2174/4885KMT2A 3595/4885
US-20230190684-A1 METHODS OF TREATING COVID-19 WITH A NICLOSAMIDE COMPOUND ACE2, ACE, MME KCNJ1 2216/4885ALDH1A1 3497/4885KMT2A 2744/4885
US-11744812-B2 Methods of treatment ACE2, ACE, SI KCNJ1 2484/4885ALDH1A1 3977/4885KMT2A 2952/4885
US-20230201143-A1 METHODS OF TREATMENT ACE2, ACE, SI KCNJ1 1961/4885ALDH1A1 3889/4885KMT2A 2890/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KCNJ1 2545/4885ALDH1A1 785/4885KMT2A 2353/4885
US-11564896-B2 Methods of treatment ACE2, ACE, SI KCNJ1 1961/4885ALDH1A1 3889/4885KMT2A 2890/4885
US-20230102999-A1 DEUTERATED NICLOSAMIDE FH, IDH2, ECHS1 KCNJ1 341/4885ALDH1A1 2305/4885KMT2A 2551/4885
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 KCNJ1 374/4885ALDH1A1 2230/4885KMT2A 3704/4885

“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.