SCHEMBL10112489

SCHEMBL10112489

O=C(O)CCCCCON(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 5/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
GPR84 Q9NQS5 8/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
PTPN1 P18031 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
FABP4 P15090 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 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
SCHEMBL12629760 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL12631167 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL13236600 1.00 ALDH1A1 (0.56) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL11994074 0.98 LMNA (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL11994075 0.91 LMNA (0.48) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL12631160 0.80
SCHEMBL15493666 0.80 ALDH1A1 (0.54) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL14163202 0.78 TSHR (0.47) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7748806 0.75 TSHR (0.67) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL6901617 0.75 TSHR (0.67) ALDH1A1TSHRLMNANFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120210634-A1 NITROOXYESTERS, THEIR PREPARATION AND USE DSM IP ASSETS B.V. (NL) 2012-08-23 US disclosed
EP-2238143-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2012-08-15 EP disclosed
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 WO disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 WO disclosed
WO-2009049961-A2 NEW NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2009-04-23 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 (2 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-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 ALDH1A1 936/4885TSHR 3475/4885LMNA 2573/4885
US-20120210634-A1 NITROOXYESTERS, THEIR PREPARATION AND USE CYP2E1, CYP1B1, CYP11B1 ALDH1A1 271/4885TSHR 4856/4885LMNA 1622/4885

“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.