SCHEMBL6404528

SCHEMBL6404528

COc1ccccc1[C@@](C)(O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 4/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
CASR P41180 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CA4 P22748 1/20 0.43
ATM Q13315 2/20 0.43

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
SCHEMBL420634 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL17102000 0.83 KMT2A (0.49) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL27785393 0.82 CTNNB1 (0.46) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL11023514 0.80 KMT2A (0.47) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL2795840 0.79 KMT2A (0.56) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL9545821 0.78 ATM (0.37) KMT2AMEN1ALDH1A1GAAATM
SCHEMBL6436173 0.78 KMT2A (0.46) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL29472193 0.78 CA1 (0.52) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL9326049 0.78 CASR (0.57) KMT2AMEN1ALDH1A1GAACA1
SCHEMBL2951312 0.78 CA1 (0.52) KMT2AMEN1ALDH1A1GAACA1

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-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 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-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 KMT2A 1836/4885MEN1 1898/4885ALDH1A1 1217/4885

“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.