SCHEMBL10279999

SCHEMBL10279999

COCOc1ccc(-c2ccc(OC)cc2)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 3/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.44
EGFR P00533 2/20 0.43
PLA2G2A P14555 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL7914471 0.89 NPC1 (0.47) KDM4EMAPTALDH1A1HPGDEGFR
SCHEMBL12553304 0.87 EGFR (0.56) KDM4ECYP2C19CYP1A2CYP2C9MAPT
SCHEMBL1390667 0.83 MAPT (0.47) KDM4ECYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL4304248 0.81 MAPT (0.51) KDM4ECYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL7923604 0.81 CHEK1 (0.47) KDM4ECYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL7922447 0.80 TDP1 (0.51) KDM4EMAPTALDH1A1HPGDEGFR
SCHEMBL12553298 0.78 CA12 (0.57) CYP2C19CYP1A2CYP2C9MAPTBACE1
SCHEMBL12587316 0.78 MAOA (0.49) KDM4ECYP2C19CYP1A2CYP2C9MAPT
SCHEMBL7920254 0.77 PLA2G2A (0.51) KDM4ECYP2D6MAPTALDH1A1HPGD
SCHEMBL7928723 0.77 PLA2G2A (0.50) KDM4EMAPTALDH1A1HPGDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KDM4E 1415/4885CYP2D6 3309/4885CYP2C19 2942/4885

“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.