SCHEMBL1033345

SCHEMBL1033345

C=C(C(=O)OCCCCN)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CPB2 Q96IY4 1/20 0.33
CYP1A2 P05177 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
PAOX Q6QHF9 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR2C P28335 1/20 0.31
GSR P00390 1/20 0.31
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL19207251 0.98 TSHR (0.44) TSHRCPB2CYP1A2POLBAPEX1
SCHEMBL19207299 0.98 TSHR (0.44) TSHRCPB2CYP1A2POLBAPEX1
SCHEMBL19207302 0.98 TSHR (0.44) TSHRCPB2CYP1A2POLBAPEX1
SCHEMBL19207268 0.98 TSHR (0.44) TSHRCPB2CYP1A2POLBAPEX1
SCHEMBL19207246 0.98 TSHR (0.44) TSHRCPB2CYP1A2POLBAPEX1
SCHEMBL446080 0.94 TSHR (0.39) TSHRCPB2CYP1A2POLBAPEX1
SCHEMBL41031 0.86 TSHR (0.36) TSHRTHRB
Hydrochloric Acid SCHEMBL2533776 0.85 TSHR (0.35) TSHRTHRB
Ammonia Solution, Strong SCHEMBL3663515 0.85 TSHR (0.35) TSHRTHRB
SCHEMBL8414991 0.83 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1

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 21 patents — showing the first 20. 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
EP-1765276-B1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE BASF SE (DE) 2013-11-06 EP disclosed
EP-2276797-B1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2012-11-21 EP disclosed
US-20120149265-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-06-14 US disclosed
EP-2449050-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-05-09 EP disclosed
US-20110147965-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2011-06-23 US disclosed
US-7947294-B2 Shatter resistant encapsulated colorants for natural skin appearance BASF SE (DE) 2011-05-24 US disclosed
EP-2276797-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2011-01-26 EP disclosed
WO-2009135791-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2009-11-12 WO disclosed
EP-2029090-A1 BLEED-RESISTANT COLORED MICROPARTICLES Ciba Holding Inc. (CH) 2009-03-04 EP disclosed
EP-2029091-A2 BLEED-RESISTANT COLORED MICROPARTICLES AND SKIN CARE COMPOSITIONS COMPRISING THEM The Procter and Gamble Company (US) 2009-03-04 EP disclosed
US-20070287789-A1 Bleed-resistant colored microparticles CIBA SPECIALTY CHEMICALS CORP. 2007-12-13 US disclosed
WO-2007141742-A2 BLEED-RESISTANT COLORED MICROPARTICLES AND SKIN CARE COMPOSITIONS COMPRISING THEM THE PROCTER & GAMBLE COMPANY (US) 2007-12-13 WO disclosed
WO-2007141169-A1 BLEED-RESISTANT COLORED MICROPARTICLES CIBA HOLDING INC. (CH) 2007-12-13 WO disclosed
US-20070286824-A1 Bleed-resistant colored microparticles and skin care compositions comprising them PROCTER & GAMBLE COMPANY, THE 2007-12-13 US disclosed
EP-1765276-A1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-28 EP disclosed
WO-2005123009-A1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-29 WO disclosed
US-20050276774-A1 Shatter resistant encapsulated colorants for natural skin appearance CIBA CORPORATION 2005-12-15 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 (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 3808/4885CYP1A2 4511/4885

“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.