SCHEMBL11908686

SCHEMBL11908686

O=C(O)c1ccc2ccc(OCc3ccccc3)cc2c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.56
MAOB P27338 1/20 0.55
ALOX5 P09917 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
MDH2 P40926 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
MCL1 Q07820 2/20 0.51
SRD5A2 P31213 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL1681413 0.88 MAOB (0.51) SLC16A3MAOBALOX5MRGPRX4ALDH1A1
SCHEMBL1681386 0.85 WDR5 (0.53) SLC16A3MRGPRX4ALDH1A1SMN1; SMN2NR4A2
SCHEMBL29043356 0.85 PTGER1 (0.47) SLC16A3MAOBMRGPRX4ALDH1A1MCL1
SCHEMBL6414966 0.84 MRGPRX4 (0.60) SLC16A3MAOBALOX5MRGPRX4ALDH1A1
SCHEMBL23796860 0.81 MEN1 (0.65) SLC16A3MAOBALOX5ALDH1A1HPGD
SCHEMBL7161222 0.81 MAOB (0.65) SLC16A3MAOBALOX5ALDH1A1HPGD
SCHEMBL3424839 0.80 ALDH1A1 (0.55) MAOBALDH1A1HPGDSMN1; SMN2NR4A2
SCHEMBL14302686 0.80 MAOB (0.60) SLC16A3MAOBALOX5ALDH1A1HPGD
SCHEMBL1519064 0.79 MAOB (0.77) SLC16A3MAOBALDH1A1HPGDMDH2
SCHEMBL4756552 0.79 MAOB (0.63) SLC16A3MAOBALOX5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822515-B2 Heterocyclic benzoxazole compositions as inhibitors of hepatitis C virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-09-02 US disclosed
US-20120208856-A1 Heterocyclic Benzoxazole Compositions as Inhibitors of Hepatitis C Virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2012-08-16 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-20120208856-A1 Heterocyclic Benzoxazole Compositions as Inhibitors of Hepatitis C Virus HAVCR2, CYP3A7, CYP2C9 SLC16A3 3381/4885MAOB 602/4885ALOX5 1008/4885

“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.