SCHEMBL17807205

SCHEMBL17807205

COCCOCCOCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
DNM1 Q05193 3/20 0.35
LSS P48449 1/20 0.34
PIK3CD O00329 1/20 0.33
HTR1B P28222 1/20 0.32

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
SCHEMBL16438906 1.00 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
SCHEMBL11423710 1.00 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
SCHEMBL8376859 0.93 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
SCHEMBL623374 0.89 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
SCHEMBL10566857 0.89 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
Water SCHEMBL9578060 0.87 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
SCHEMBL22266556 0.87 CA12 (0.46) CA12CA1CA2CA9PIK3CD
SCHEMBL530011 0.87 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
SCHEMBL3436796 0.84 CA2 (0.48) ALDH1A1TSHRKDM4ESMN1; SMN2CA12
SCHEMBL28356492 0.84 CA2 (0.48) ALDH1A1TSHRKDM4ESMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275305-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2017-09-28 US disclosed
US-9708350-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-18 US disclosed
US-20160159979-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-09 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 (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-20170275305-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR ADH1A, ADH1C, AP3M1 ALDH1A1 51/4885TSHR 3940/4885KDM4E 2409/4885
US-20160159979-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR ADH1A, ADH1C, AP3M1 ALDH1A1 51/4885TSHR 3940/4885KDM4E 2409/4885

“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.