SCHEMBL990139

SCHEMBL990139

CCCNC(Cc1ccccc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
EPHX1 P07099 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
BCHE P06276 1/20 0.46
FCER2 P06734 2/20 0.46
MMP1 P03956 2/20 0.46
HPGDS O60760 2/20 0.45
ACE P12821 1/20 0.44
ELANE P08246 1/20 0.44

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
SCHEMBL10748039 1.00 SIGMAR1 (0.56) SIGMAR1POLBL3MBTL1CA12CA1
SCHEMBL27395559 0.91 BCHE (0.56) SIGMAR1POLBCA12CA1CA9
SCHEMBL16994017 0.89 BCHE (0.52) SIGMAR1POLBCA12CA1CA9
SCHEMBL16994016 0.89 BCHE (0.52) SIGMAR1POLBCA12CA1CA9
SCHEMBL21892052 0.88 BCHE (0.51) CNR1CNR2BCHEMMP1
SCHEMBL989835 0.87 SIGMAR1 (0.53) SIGMAR1POLBCA12CA1CA9
SCHEMBL11254313 0.87 EPHX1 (0.50) SIGMAR1EPHX1CNR1CNR2BCHE
SCHEMBL4672507 0.87 SIGMAR1 (0.53) SIGMAR1POLBCA12CA1CA9
SCHEMBL30699914 0.87 SIGMAR1 (0.53) SIGMAR1POLBCA12CA1CA9
SCHEMBL661567 0.87 SIGMAR1 (0.59) SIGMAR1POLBL3MBTL1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255062-B2 Fatty acid derivatives for oral administration endowed with high palatability RHEA INNOVATIONS S.R.L. (IT) 2016-02-09 US disclosed
EP-2268605-B1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY BERNI CANANI ROBERTO (IT) 2014-06-04 EP disclosed
US-20110098319-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY RHEA INNOVATIONS S.R.L. (IT) 2011-04-28 US disclosed
EP-2268605-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PAIA- TABILITY Berni Canani, Roberto (IT) 2011-01-05 EP disclosed
WO-2009130735-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY BERNI CANANI ROBERTO (IT) 2009-10-29 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-20110098319-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY FABP2, FFAR2, VIP SIGMAR1 2001/4885POLB 2159/4885L3MBTL1 1833/4885

“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.