SCHEMBL4434901

SCHEMBL4434901

CC(=O)Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.78
MAPT P10636 7/20 0.78
NPC1 O15118 7/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
ALDH1A1 P00352 6/20 0.78
KDM4E B2RXH2 4/20 0.78
ALDH2 P05091 5/20 0.62
MAOA P21397 4/20 0.62
MAOB P27338 4/20 0.62
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
MAPK1 P28482 4/20 0.59
TSHR P16473 2/20 0.59
LMNA P02545 1/20 0.59
XDH P47989 1/20 0.59
POLB P06746 3/20 0.58
HDAC6 Q9UBN7 2/20 0.58
GAA P10253 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58

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
SCHEMBL1724568 0.92 MAPT (0.85) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL10338453 0.89 KDM4E (0.80) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL12238020 0.89 RAB9A (0.80) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2069145 0.89 RAB9A (0.80) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL12289030 0.88 RAB9A (0.78) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2070406 0.88 NPC1 (1.00) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL13774686 0.85 XDH (0.76) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2069266 0.84 MAPT (0.84) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL2604722 0.84 ALDH1A1 (0.72) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1038112 0.82 MAPT (0.78) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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 3 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
WO-2011133728-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US 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 (1 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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB RAB9A 3340/4885MAPT 3422/4885NPC1 698/4885

“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.