SCHEMBL6571061

SCHEMBL6571061

COC(C)OC.O=Cc1ccc(Br)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.40
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
TDP1 Q9NUW8 5/20 0.40
RECQL P46063 4/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
MCL1 Q07820 1/20 0.40
GAA P10253 3/20 0.39
KMT2A Q03164 6/20 0.37
KDM4E B2RXH2 3/20 0.37
APEX1 P27695 3/20 0.37
NSD2 O96028 1/20 0.37
DNMT1 P26358 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ALDH1A1 P00352 7/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 5/20 0.34

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
SCHEMBL70088 0.82
SCHEMBL8612650 0.75 ALDH1A1 (0.47) POLBMAPTL3MBTL1HPGDGAA
Aes-103 SCHEMBL9256544 0.75 ALDH1A1 (0.71) POLBMAPTL3MBTL1TDP1HPGD
Furfural SCHEMBL28226312 0.69 ALDH1A1 (0.67) POLBMAPTL3MBTL1TDP1RECQL
SCHEMBL17789914 0.68 KMT2A (0.31) KMT2A
SCHEMBL455044 0.68 ALDH1A3 (0.47) MAOAMAOBALDH1A1TSHR
SCHEMBL28811654 0.67 GAA (0.45) POLBMAPTL3MBTL1TDP1HPGD
SCHEMBL10091767 0.66
SCHEMBL10147239 0.66 GAA (0.48) POLBMAPTL3MBTL1TDP1HPGD
SCHEMBL51391 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases WYETH 2004-10-07 US disclosed
EP-1109580-A4 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2004-05-26 EP disclosed
US-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2003-10-16 US disclosed
EP-1115286-A4 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-07-23 EP disclosed
EP-1128832-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-03-05 EP disclosed
US-6440985-B1 Methods for treating viral infections VIROPHARMA INCORPORATED 2002-08-27 US disclosed
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases BAILEY THOMAS R (US) 2002-05-02 US disclosed
US-6316492-B1 THERAPY OF INFECTION ONE VIRUS OF THE FLAVIVIRIDAE FAMILY AND DISEASE ASSOCIATED WITH SAID INFECTION BY ADMINISTERING ANTIVIRAL COMPOUND VIROPHARMA INCORPORATED 2001-11-13 US disclosed
EP-1128832-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-09-05 EP disclosed
EP-1115286-A1 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-07-18 EP disclosed
EP-1109580-A1 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-06-27 EP disclosed
WO-2000018231-A1 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-04-06 WO disclosed
WO-2000013708-A1 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-16 WO disclosed
WO-2000010573-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-03-02 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-20030195213-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG POLB 2141/4885MAPT 1526/4885L3MBTL1 1182/4885
US-20020052396-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG POLB 2141/4885MAPT 1526/4885L3MBTL1 1182/4885
US-20040198741-A1 Compounds, compositions and methods for treating or preventing viral infections and associated diseases RXRG, TREH, RARG POLB 2141/4885MAPT 1526/4885L3MBTL1 1182/4885

“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.