SCHEMBL12410462

SCHEMBL12410462

O=C(N/B=N/P)Oc1ccc(CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.41
CYP4A11 Q02928 4/20 0.41
PTGS2 P35354 2/20 0.40
PPARA Q07869 1/20 0.40
RAB9A P51151 3/20 0.37
TAAR1 Q96RJ0 2/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
F2RL1 P55085 1/20 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
SCHEMBL12410588 0.82 GAA (0.42) GAASMN1; SMN2
SCHEMBL2607885 0.74 CYP4A11 (0.51) CYP4F2CYP4A11PTGS2PPARARAB9A
SCHEMBL12410458 0.73 NPC1 (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL11955603 0.72 CYP4F2 (0.41) CYP4F2CYP4A11PTGS2PPARARAB9A
SCHEMBL29046738 0.71 PPARA (0.53) CYP4F2CYP4A11PTGS2PPARASMN1; SMN2
SCHEMBL15459743 0.70 PPARA (0.56) CYP4F2CYP4A11PTGS2PPARATHRB
SCHEMBL12419012 0.69 CYP4F2 (0.41) CYP4F2CYP4A11PTGS2PPARARAB9A
SCHEMBL6662199 0.69 PTGS2 (0.65) CYP4F2CYP4A11PTGS2PPARARAB9A
Methyl Alcohol SCHEMBL7111417 0.67 PTGS2 (0.63) CYP4F2CYP4A11PTGS2PPARARAB9A
SCHEMBL342562 0.66 THRB (0.72) CYP4F2CYP4A11PTGS2PPARATHRB

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-8449872-B2 Polymer conjugates of nesiritide peptides NEKTAR THERAPEUTICS (US) 2013-05-28 US disclosed
US-20110165111-A1 POLYMER CONJUGATES OF NESIRITIDE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 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-20110165111-A1 POLYMER CONJUGATES OF NESIRITIDE PEPTIDES NGLY1, IAPP, NPSR1 CYP4F2 3802/4885CYP4A11 1856/4885PTGS2 3341/4885

“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.