SCHEMBL5502786

SCHEMBL5502786

CCCCCCCCCCCCCCCCCNCCCC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.87
ALDH1A1 P00352 1/20 0.87
EPHX1 P07099 6/20 0.58
ADH1B P00325 2/20 0.57
ADH1C P00326 2/20 0.57
ADH1A P07327 2/20 0.57
ADH7 P40394 2/20 0.57
ADH4 P08319 1/20 0.57
S1PR2 O95136 5/20 0.56
S1PR4 O95977 5/20 0.56
S1PR1 P21453 5/20 0.56
S1PR3 Q99500 5/20 0.56
S1PR5 Q9H228 1/20 0.56
THRB P10828 1/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5313856 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL5165020 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL4315670 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL8980568 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL8980623 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6545006 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL25210211 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL5500928 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL21611676 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL237903 1.00 TSHR (0.87) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021055-A1 NITRIC OXIDE-RELEASING PARTICLES FOR NITRIC OXIDE THERAPEUTICS AND BIOMEDICAL APPLICATIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-26 US disclosed
EP-1766183-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS Baker Hughes Incorporated (US) 2007-03-28 EP disclosed
WO-2005116399-A1 ENHANCEMENT MODIFIERS FOR GAS HYDRATE INHIBITORS BAKER HUGHES INCORPORATED (US) 2005-12-08 WO disclosed
US-5536425-A DURABILITY SONY CORPORATION (JP) 1996-07-16 US disclosed
US-5453539-A Durability SONY CORPORATION (JP) 1995-09-26 US disclosed
EP-0519406-A2 Novel perfluoropolyether derivatives, and lubricants and magnetic recording medium using the same SONY CORPORATION (JP) 1992-12-23 EP 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-20120021055-A1 NITRIC OXIDE-RELEASING PARTICLES FOR NITRIC OXIDE THERAPEUTICS AND BIOMEDICAL APPLICATIONS NOS2, NOS3, NOS1 TSHR 673/4885ALDH1A1 1868/4885EPHX1 1648/4885

“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.