SCHEMBL5612948

SCHEMBL5612948

CCOC(=O)c1ccc(C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP2C19 P33261 1/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
ESR2 Q92731 2/20 0.59
CA12 O43570 1/20 0.59
ESR1 P03372 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
LMNA P02545 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58

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
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL203475 0.94 CA1 (0.66) MAPTMEN1KMT2AL3MBTL1CYP1A2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL27605414 0.93 CA1 (0.63) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL2997359 0.89 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL5837526 0.89 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL6788089 0.89 CA1 (0.73) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8206092 0.88 PRSS1 (0.62) MAPTMEN1KMT2AL3MBTL1CYP1A2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL10937413 0.88 CA1 (0.69) MAPTMEN1KMT2AL3MBTL1CYP1A2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL30129677 0.88 MAPT (0.62) MAPTMEN1KMT2AL3MBTL1CYP1A2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL28010139 0.86 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL11458535 0.86 KMT2A (0.63) MAPTMEN1KMT2AL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-4208425-A VIRICIDES STERLING DRUG INC. (US) 1980-06-17 US disclosed
US-4171371-A Diketones STERLING DRUG INC. (US) 1979-10-16 US disclosed
US-4153719-A Aromatic diketones STERLING DRUG INC. (US) 1979-05-08 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG MAPT 4523/4885MEN1 4611/4885KMT2A 3196/4885

“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.