SCHEMBL6886499

SCHEMBL6886499

CCOC(=O)C(OC(=O)SCC)OC(=O)c1ccccc1OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.43
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
TBXAS1 P24557 1/20 0.38

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
SCHEMBL6887310 0.84 HCRTR1 (0.46) HCRTR1TSHRNPSR1SMN1; SMN2TP53
SCHEMBL7713755 0.78 HCRTR1 (0.48) HCRTR1TSHRNPSR1SMN1; SMN2TP53
SCHEMBL536025 0.75 TSHR (0.71) HCRTR1TSHRSMN1; SMN2TP53ESR1
SCHEMBL10324240 0.74 HCRTR1 (0.55) HCRTR1NPSR1ESR1ESR2ALDH1A1
Bicarbonate SCHEMBL5184189 0.72 TSHR (0.67) HCRTR1TSHRSMN1; SMN2TP53ESR1
SCHEMBL30822762 0.72 HCRTR1 (0.53) HCRTR1NPSR1SMN1; SMN2ESR1ESR2
SCHEMBL28983281 0.72 HCRTR1 (0.53) HCRTR1TSHRNPSR1ESR1ESR2
Acetic Acid SCHEMBL4244149 0.71 TSHR (0.65) HCRTR1TSHRSMN1; SMN2TP53ESR1
SCHEMBL7057320 0.71 HCRTR1 (0.58) HCRTR1TSHRNPSR1TP53ESR1
SCHEMBL6887636 0.71 TSHR (0.44) HCRTR1TSHRSMN1; SMN2TP53ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254182-A1 Enhanced propertied pharmaceuticals ROHM AND HAAS COMPANY 2004-12-16 US disclosed
EP-1272463-A1 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2003-01-08 EP disclosed
WO-2002072559-A1 PROCESS TO INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2002-09-19 WO disclosed
US-20010039343-A1 Process to intermediates for biologically active compounds MULVIHILL MARK JOSEPH (US) 2001-11-08 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001054481-A2 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2001-08-02 WO disclosed
WO-2001055082-A2 INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2001-08-02 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 (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-20040254182-A1 Enhanced propertied pharmaceuticals ABCB1, ABCB11, ABCG2 HCRTR1 4544/4885TSHR 4413/4885NPSR1 2541/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 HCRTR1 872/4885TSHR 1916/4885NPSR1 3590/4885

“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.