SCHEMBL5899759

SCHEMBL5899759

CC(=O)Nc1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ADORA3 P0DMS8 3/20 0.62
ADORA1 P30542 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ADORA2A P29274 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
CNR1 P21554 1/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL1742667 0.87 CYP1A2 (0.81) MAPTCYP1A2CYP2C19NPSR1KDM4E
SCHEMBL21933245 0.81 KDM4E (0.81) MAPTCYP1A2CYP2C19NPSR1KDM4E
SCHEMBL31574502 0.79 GABRA1 (0.61) MAPTADORA3ADORA1KDM4ENPC1
SCHEMBL4097987 0.79 GABRA1 (0.61) MAPTADORA3ADORA1KDM4ENPC1
SCHEMBL5354022 0.77 KIF11 (0.49) MAPTCYP1A2CYP2C19KDM4ENPC1
SCHEMBL5354013 0.77 KIF11 (0.49) MAPTCYP1A2CYP2C19KDM4ENPC1
SCHEMBL3818831 0.77 SMN1; SMN2 (1.00) MAPTCYP2C19KDM4ENPC1RAB9A
SCHEMBL5861384 0.77 CYP1A2 (1.00) MAPTCYP1A2CYP2C19NPSR1KDM4E
SCHEMBL14456451 0.76 KMT2A (0.53) MAPTNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL9762638 0.75 SMN1; SMN2 (0.86) MAPTCYP2C19NPSR1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 US disclosed
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 EP disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 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 (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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 MAPT 4257/4885CYP1A2 221/4885CYP2C19 1300/4885

“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.