SCHEMBL4565912

SCHEMBL4565912

CCCCC[N]OCCCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NAAA Q02083 2/20 0.36
THRB P10828 2/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 6/20 0.34
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
MAPT P10636 1/20 0.34
LPAR3 Q9UBY5 5/20 0.33
LPAR2 Q9HBW0 4/20 0.33
LPAR1 Q92633 2/20 0.33

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
SCHEMBL6336308 0.90 THRB (0.35) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL7455857 0.87 THRB (0.40) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL10706187 0.87 THRB (0.40) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL6331643 0.87 THRB (0.40) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL7541647 0.87 PRSS1 (0.36) PRSS1PRSS2PRSS3MEN1KMT2A
SCHEMBL3986271 0.81
SCHEMBL5933287 0.81
SCHEMBL10864549 0.81
SCHEMBL5932707 0.79 THRB (0.42) MEN1KMT2ANAAATHRBTSHR
SCHEMBL5932320 0.79 THRB (0.42) MEN1KMT2ANAAATHRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069240-A2 BOOTSTRAP SYNTHESIS OF BORANES Los Alamos National Security, LLC (US) 2009-06-17 EP claimed
US-20080175781-A1 Bootstrap synthesis of boranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-07-24 US claimed
WO-2008039312-A2 BOOTSTRAP SYNTHESIS OF BORANES LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-04-03 WO claimed
EP-2069240-A2 BOOTSTRAP SYNTHESIS OF BORANES Los Alamos National Security, LLC (US) 2009-06-17 EP disclosed
EP-2069240-A2 BOOTSTRAP SYNTHESIS OF BORANES Los Alamos National Security, LLC (US) 2009-06-17 EP disclosed
US-20080175781-A1 Bootstrap synthesis of boranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-07-24 US disclosed
US-20080175781-A1 Bootstrap synthesis of boranes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-07-24 US disclosed
WO-2008039312-A3 BOOTSTRAP SYNTHESIS OF BORANES LOS ALAMOS NAT SECURITY LLC (US) 2008-05-08 WO disclosed
WO-2008039312-A2 BOOTSTRAP SYNTHESIS OF BORANES LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-04-03 WO disclosed
WO-2008039312-A2 BOOTSTRAP SYNTHESIS OF BORANES LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-04-03 WO disclosed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 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-20080175781-A1 Bootstrap synthesis of boranes BCL2L13, BCL2L11, BCL2L2 PRSS1 3521/4885PRSS2 2121/4885PRSS3 1895/4885

“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.