SCHEMBL19207299

SCHEMBL19207299

C=C(C(=O)OCCCCCCCCCCCCN)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CPB2 Q96IY4 2/20 0.36
PAOX Q6QHF9 3/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2C P28335 1/20 0.33
NAAA Q02083 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.32
PLG P00747 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.32
RECQL P46063 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL19207268 1.00 TSHR (0.44) TSHRCPB2PAOXPOLBAPEX1
SCHEMBL19207302 1.00 TSHR (0.44) TSHRCPB2PAOXPOLBAPEX1
SCHEMBL19207246 1.00 TSHR (0.44) TSHRCPB2PAOXPOLBAPEX1
SCHEMBL19207251 1.00 TSHR (0.44) TSHRCPB2PAOXPOLBAPEX1
SCHEMBL1033345 0.98 TSHR (0.42) TSHRCPB2PAOXPOLBAPEX1
SCHEMBL446080 0.93 TSHR (0.39) TSHRCPB2POLBAPEX1HTT
SCHEMBL41031 0.85 TSHR (0.36) TSHRTHRB
SCHEMBL1069127 0.84 TSHR (0.65) TSHRALDH1A1NAAALMNARAD52
SCHEMBL13266339 0.84 TSHR (0.65) TSHRALDH1A1NAAALMNARAD52
SCHEMBL29096240 0.84 TSHR (0.65) TSHRALDH1A1NAAALMNARAD52

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-20190040172-A1 AQUEOUS EMULSION POLYMERS AS RHEOLOGY MODIFIERS, COMPOSITIONS THEREOF, AND METHOD OF USE ISP INVESTMENTS LLC (US) 2019-02-07 US disclosed
EP-3411418-A1 AQUEOUS EMULSION POLYMERS AS RHEOLOGY MODIFIERS, COMPOSITIONS THEREOF, AND METHOD OF USE ISP Investments LLC (US) 2018-12-12 EP disclosed
WO-2017136800-A1 AQUEOUS EMULSION POLYMERS AS RHEOLOGY MODIFIERS, COMPOSITIONS THEREOF, AND METHOD OF USE ISP INVESTMENTS LLC (US) 2017-08-10 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 (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-20190040172-A1 AQUEOUS EMULSION POLYMERS AS RHEOLOGY MODIFIERS, COMPOSITIONS THEREOF, AND METHOD OF USE MUC1, ACP1, F12 TSHR 3382/4885CPB2 3808/4885PAOX 207/4885

“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.