SCHEMBL2500647

SCHEMBL2500647

CCc1c(C)cc(C)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 6/20 0.43
GAA P10253 4/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
F2 P00734 1/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL2502888 0.90 MAPT (0.45) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2485390 0.90 LMNA (0.45) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2505965 0.90 MAPT (0.45) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2510260 0.87 LMNA (0.43) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2482121 0.86 KMT2A (0.41) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2509827 0.85 PPARG (0.44) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2508117 0.85 KMT2A (0.41) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2507669 0.85 MAPT (0.43) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2508822 0.85 PPARG (0.44) KMT2ALMNAALDH1A1MAPTGAA
SCHEMBL2479731 0.84 MAPT (0.43) KMT2ALMNAALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104860826-A Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC 2015-08-26 CN disclosed
CN-102741215-B Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES INC 2015-04-29 CN disclosed
US-8604235-B2 Production of substituted phenylene aromatic diesters and compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-10 US disclosed
EP-2376423-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-19 EP 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

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 1611/4885LMNA 4145/4885ALDH1A1 240/4885

“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.