SCHEMBL2886891

SCHEMBL2886891

Cc1cc(C(C)(C)CC(C)(C)C)cc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MDH1 P40925 2/20 0.37

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
SCHEMBL2482843 0.88 KMT2A (0.41) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2888364 0.86 MAPT (0.40) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2506912 0.85 MAPT (0.40) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL498389 0.85 MAPT (0.55) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2888400 0.84 NPSR1 (0.41) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2888081 0.83 NPSR1 (0.38) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2508302 0.83 TDP1 (0.49) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2507012 0.83 NPSR1 (0.40) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2512726 0.82 KMT2A (0.38) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2509134 0.81 PTGDR2 (0.38) KMT2AMAPTSMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464144-B2 Enhanced procatalyst composition and process W. R. Grace & Co.—Conn. (US) 2016-10-11 US disclosed
US-9464144-B2 Enhanced procatalyst composition and process W. R. Grace & Co.—Conn. (US) 2016-10-11 US disclosed
EP-2373701-B1 ENHANCED PROCATALYST COMPOSITION AND PROCESS GRACE W R & CO (US) 2016-03-09 EP disclosed
US-20140274668-A1 ENHANCED PROCATALYST COMPOSITION AND PROCESS W. R. GRACE & CO.-CONN. (US) 2014-09-18 US disclosed
US-20140274668-A1 ENHANCED PROCATALYST COMPOSITION AND PROCESS W. R. GRACE & CO.-CONN. (US) 2014-09-18 US disclosed
US-8778826-B2 Enhanced procatalyst composition and process W. R. GRACE & CO.-CONN. (US) 2014-07-15 US disclosed
US-8778826-B2 Enhanced procatalyst composition and process W. R. GRACE & CO.-CONN. (US) 2014-07-15 US disclosed
US-8604235-B2 Production of substituted phenylene aromatic diesters and compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-10 US disclosed
US-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions W. R. GRACE & CO.-CONN. 2010-08-12 US disclosed
US-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions W. R. GRACE & CO.-CONN. 2010-08-12 US disclosed
US-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions W. R. GRACE & CO.-CONN. 2010-08-12 US disclosed
WO-2010078519-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 WO disclosed
US-20100173769-A1 Enhanced Procatalyst Composition and Process W. R. GRACE & CO.-CONN. 2010-07-08 US disclosed
US-20100173769-A1 Enhanced Procatalyst Composition and Process W. R. GRACE & CO.-CONN. 2010-07-08 US disclosed
WO-2010078503-A1 ENHANCED PROCATALYST COMPOSITION AND PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 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-20100204506-A1 Production of Substituted Phenylene Aromatic Diesters and Compositions PAH, DDC, DDT KMT2A 1611/4885MAPT 2384/4885SMN1; SMN2 4422/4885

“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.