SCHEMBL10034619

SCHEMBL10034619

COc1ccc(CC[C@@H]2CO2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CA2 P00918 2/20 0.52
POLB P06746 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
AOC3 Q16853 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
STAT3 P40763 1/20 0.47
LYPLA1 O75608 1/20 0.47
LYPLA2 O95372 1/20 0.47
ABHD16A O95870 1/20 0.47
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL10695511 0.90 ATM (0.51) ATMKDM4ECA2POLBCYP19A1
SCHEMBL1261811 0.83 CA2 (0.55) ATMKDM4ECA2CYP1A2CYP3A4
SCHEMBL7360040 0.83 ADRA1A (0.49) ATMKDM4EPOLBSIGMAR1
SCHEMBL10975422 0.80 POLB (0.56) ATMKDM4ECA2POLBMAPT
SCHEMBL2689229 0.79 SLC6A4 (0.64) ATMKDM4ECYP19A1
SCHEMBL2689969 0.79 SLC6A4 (0.64) ATMKDM4E
SCHEMBL13271127 0.78 PPARG (0.42) LYPLA1LYPLA2ABHD16A
SCHEMBL31157848 0.78 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL16641094 0.78 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL6631330 0.78 CA2 (0.49) ATMKDM4ECA2POLBCYP19A1

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-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 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-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP ATM 4362/4885KDM4E 858/4885CA2 2215/4885

“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.