SCHEMBL19207301

SCHEMBL19207301

C=C(C(=O)OCCCCCCCCCCCCCCCCCCN)C(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CPB2 Q96IY4 3/20 0.41
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.34
CYP1A2 P05177 1/20 0.34
PAOX Q6QHF9 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EPHX1 P07099 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 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
SCHEMBL5052486 1.00 TSHR (0.46) TSHRCPB2HTR2CNAAACYP1A2
SCHEMBL19207247 1.00 TSHR (0.46) TSHRCPB2HTR2CNAAACYP1A2
SCHEMBL11762987 1.00 TSHR (0.46) TSHRCPB2HTR2CNAAACYP1A2
SCHEMBL19207245 1.00 TSHR (0.46) TSHRCPB2HTR2CNAAACYP1A2
SCHEMBL1033070 0.98 TSHR (0.43) TSHRCPB2HTR2CNAAACYP1A2
SCHEMBL1031463 0.93 TSHR (0.41) TSHRCPB2HTR2CCYP1A2CA1
SCHEMBL29117856 0.86 TSHR (0.62) TSHRHTR2CNAAARAD52NPSR1
SCHEMBL11139716 0.86 TSHR (0.62) TSHRHTR2CNAAARAD52NPSR1
SCHEMBL124310 0.86 THRB (0.36) TSHRCPB2CYP1A2CA1CA2
SCHEMBL7535904 0.84 TSHR (0.65) TSHRHTR2CNAAAPOLBAPEX1

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 3808/4885HTR2C 3352/4885

“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.