SCHEMBL2070701

SCHEMBL2070701

COc1ccc(-c2coc3c(C)c(O)ccc3c2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
CYP3A4 P08684 4/20 0.69
MAPT P10636 4/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
TP53 P04637 3/20 0.69
LMNA P02545 2/20 0.69
THRB P10828 1/20 0.69
POLB P06746 3/20 0.62
ALOX12 P18054 5/20 0.60
ALOX15 P16050 4/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP2D6 P10635 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
HPGD P15428 2/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
CYP1B1 Q16678 2/20 0.60

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
SCHEMBL29929767 0.88 ALDH1A1 (0.79) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL2070030 0.88 ALDH1A1 (0.79) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL4293075 0.87 ALDH1A1 (0.69) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL10562056 0.86 ALOX15 (0.79) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL330038 0.86 XDH (0.74) ALDH1A1CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL29503823 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL28451821 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL2069772 0.85 MAPT (0.56) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL18222918 0.85 KDM4E (0.70) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL30903606 0.85 KDM4E (0.70) ALDH1A1CYP3A4MAPTMEN1KMT2A

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-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
WO-2011133728-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
US-7906660-B2 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
US-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 US disclosed
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 US disclosed
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP disclosed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP disclosed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO disclosed
US-4814346-A Benzopyrans and use thereof in treating vascular diseases ZYMA SA (CH) 1989-03-21 US disclosed
EP-0267155-A2 Bicyclic compounds Zyma SA (CH) 1988-05-11 EP 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 (4 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 ALDH1A1 2000/4885CYP3A4 17/4885MAPT 4566/4885
US-20110262482-A1 ANTI-VIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 ALDH1A1 3477/4885CYP3A4 4242/4885MAPT 3520/4885
US-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ALDH1A1 2979/4885CYP3A4 14/4885MAPT 3761/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 ALDH1A1 2979/4885CYP3A4 14/4885MAPT 3761/4885

“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.