SCHEMBL6887033

SCHEMBL6887033

CCOC(=O)C(OC(=O)Cl)OC(=O)C(CC)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
PPARA Q07869 1/20 0.44
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX12 P18054 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
SCHEMBL6888378 0.88 SMN1; SMN2 (0.42) SMN1; SMN2PPARATSHRCYP1A2CYP2C9
SCHEMBL6887477 0.87 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL10874945 0.86 SMN1; SMN2 (0.53) SMN1; SMN2PPARATSHRCYP1A2CYP2C9
SCHEMBL7876706 0.80 TDP1 (0.56) SMN1; SMN2TSHRMAPTALDH1A1POLB
SCHEMBL21381326 0.79 SMN1; SMN2 (0.57) SMN1; SMN2PPARATSHRCYP1A2CYP2C9
SCHEMBL6888381 0.78 SMN1; SMN2 (0.46) SMN1; SMN2PPARATSHRCYP1A2CYP2C9
SCHEMBL6887036 0.77 MAPT (0.59) SMN1; SMN2TSHRCYP1A2CYP2C19MAPT
SCHEMBL1935421 0.76 TSHR (0.56) SMN1; SMN2PPARATSHRCYP1A2CYP2C9
SCHEMBL28252999 0.76 TSHR (0.53) SMN1; SMN2PPARATSHRCYP1A2CYP2C9
SCHEMBL9780844 0.76 PPARA (0.68) SMN1; SMN2PPARATSHRCYP1A2CYP2C9

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 SMN1; SMN2 1308/4885PPARA 525/4885TSHR 4413/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 SMN1; SMN2 2861/4885PPARA 1589/4885TSHR 1916/4885

“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.