SCHEMBL6887310

SCHEMBL6887310

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6886499 0.84 HCRTR1 (0.43) HCRTR1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL536025 0.78 TSHR (0.71) HCRTR1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL10324240 0.77 HCRTR1 (0.55) HCRTR1L3MBTL1MAPTLMNAESR1
SCHEMBL7715831 0.76 HCRTR1 (0.51) HCRTR1TSHRSMN1; SMN2L3MBTL1MAPT
Bicarbonate SCHEMBL5184189 0.75 TSHR (0.67) HCRTR1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL28983281 0.75 HCRTR1 (0.53) HCRTR1TSHRL3MBTL1MAPTLMNA
SCHEMBL30822762 0.75 HCRTR1 (0.53) HCRTR1SMN1; SMN2L3MBTL1MAPTLMNA
Acetic Acid SCHEMBL4244149 0.74 TSHR (0.65) HCRTR1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL6464181 0.73 HCRTR1 (0.62) HCRTR1TSHRL3MBTL1MAPTLMNA
SCHEMBL28992535 0.73 HCRTR1 (0.62) HCRTR1TSHRL3MBTL1MAPTLMNA

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 4413/4885SMN1; SMN2 1308/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 HCRTR1 872/4885TSHR 1916/4885SMN1; SMN2 2861/4885

“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.