SCHEMBL13626343

SCHEMBL13626343

COc1cc2c(c(OC)c1OC)C[C@@H](C=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ACHE P22303 1/20 0.43
DRD1 P21728 3/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GNG2 P59768 1/20 0.39
GNB1 P62873 1/20 0.39

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
SCHEMBL6252203 0.79 PDE4D (0.46) ACHE
SCHEMBL8352739 0.77 CYP1A2 (0.56) ATMTDP1LMNAPOLBACHE
SCHEMBL13626344 0.75 TUBB4A (0.40) ATMTDP1LMNAPOLBACHE
SCHEMBL27394377 0.71 ADRA1A (0.55) ACHEDRD1CYP1A2
SCHEMBL27390763 0.71 ALDH1A1 (0.49) TDP1ACHE
SCHEMBL29368136 0.71 DRD2 (0.60) ATM
SCHEMBL9037155 0.67 CHRM2 (0.53)
SCHEMBL22409978 0.67 ATM (0.70) ATMTDP1POLBACHEGNG2
SCHEMBL28949968 0.66 CA1 (0.51) DRD1
SCHEMBL8319207 0.66 ATM (0.43) ATMTDP1LMNAPOLBACHE

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF PSMC4, PSMB6, EPOR ATM 3227/4885TDP1 4482/4885LMNA 2465/4885

“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.