SCHEMBL10135346

SCHEMBL10135346

Cc1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 4/20 0.35
GFER P55789 1/20 0.35
ALDH2 P05091 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL2612423 0.90 GAA (0.47) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL466160 0.86 GAA (0.46) GAAALDH1A1SIRT1MAPTMEN1
SCHEMBL31247883 0.86 GAA (0.46) GAAALDH1A1SIRT1MAPTMEN1
SCHEMBL14644511 0.84 GAA (0.39) GAA
SCHEMBL13891727 0.84 GAA (0.38) GAAALDH1A1HTR2BSMN1; SMN2POLB
SCHEMBL12352206 0.82 GAA (0.61) GAAALDH1A1GFERALDH2MAPT
SCHEMBL26459767 0.82 GAA (0.38) GAA
SCHEMBL26459770 0.82 GAA (0.38) GAAALDH1A1CYP3A4
SCHEMBL13891723 0.80 HTR2C (0.36) GAAALDH1A1HTR2B
SCHEMBL25522686 0.80 ALDH1A1 (0.33) GAAALDH1A1SMN1; SMN2POLBCA2

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
EP-2464739-B1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2016-01-13 EP disclosed
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US disclosed
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US disclosed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 US disclosed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 US disclosed
WO-2011018472-A2 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2011-02-17 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-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 GAA 3210/4885ALDH1A1 152/4885GFER 172/4885

“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.