SCHEMBL2885886

SCHEMBL2885886

CC(C)(C)c1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(C2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMO O15229 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL2509949 0.99 MAPT (0.46) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL2509134 0.88 PTGDR2 (0.38) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL2512726 0.87 KMT2A (0.38) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL2484864 0.84 PTGDR2 (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2482272 0.83 KMO (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2484042 0.83 KMO (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2507641 0.83 KMO (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2506366 0.83 PTGDR2 (0.44) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL2506534 0.82 KMT2A (0.43) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL2484610 0.82 KMT2A (0.43) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 2384/4885TDP1 1529/4885L3MBTL1 2786/4885

“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.