SCHEMBL3310057

SCHEMBL3310057

O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.42
FABP7 O15540 2/20 0.39
FABP5 Q01469 2/20 0.39
KMT2A Q03164 3/20 0.39
ACE P12821 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTR2C P28335 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9878033 0.88 FKBP1A (0.49) FKBP1AKMT2AACEMEN1CYP3A4
SCHEMBL9877388 0.88 FKBP1A (0.49) FKBP1AKMT2AACEMEN1CYP3A4
SCHEMBL17356388 0.87 ACE (0.45) FABP7FABP5KMT2AACEMEN1
SCHEMBL22648502 0.87 ACE (0.45) FABP7FABP5KMT2AACEMEN1
SCHEMBL29634854 0.87 ACE (0.45) FABP7FABP5KMT2AACEMEN1
SCHEMBL28777376 0.87 ACE (0.45) FABP7FABP5KMT2AACEMEN1
SCHEMBL3308417 0.87 ACE (0.45) FABP7FABP5KMT2AACEMEN1
SCHEMBL4799791 0.85 ACE (0.42) FABP7FABP5KMT2AACEMEN1
SCHEMBL3311702 0.85 FABP5 (0.36) FKBP1AFABP7FABP5KMT2AACE
SCHEMBL4802204 0.85 ACE (0.45) FABP7FABP5KMT2AACEMEN1

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
EP-2125695-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SCIENCE IRELAND (IE) 2016-10-26 EP disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 FKBP1A 3368/4885FABP7 2520/4885FABP5 3689/4885

“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.