SCHEMBL13626649

SCHEMBL13626649

CCNC(=O)c1ccc(O)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.50
EGFR P00533 2/20 0.50
IP6K1 Q92551 1/20 0.50
MAPK14 Q16539 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PDE2A O00408 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
BRD4 O60885 1/20 0.44
BACE1 P56817 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL295004 0.83 ALDH1A1 (0.51) EGFRMAPK14ALDH1A1RECQLMAPT
SCHEMBL13611927 0.79 S100B (0.47) EGFRALDH1A1MAPTGAACCNC
SCHEMBL4530808 0.79 NPC1 (0.63) IP6K1ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL18083916 0.79 HDAC6 (0.60) ALDH1A1RECQLMAPTGAAKDM4E
SCHEMBL19734509 0.79 NPC1 (0.63) IP6K1ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL4439622 0.78 HDAC8 (0.64) IP6K1ALDH1A1HPGDKDM4ECDK8
SCHEMBL9511744 0.77 MAPT (0.57) EGFRALDH1A1HPGDMAPTKDM4E
SCHEMBL8658097 0.77 BACE1 (0.58) EGFRALDH1A1HPGDMAPTBACE1
SCHEMBL901046 0.77 BACE1 (0.58) EGFRALDH1A1HPGDMAPTGAA
SCHEMBL29772126 0.77 BACE1 (0.58) EGFRALDH1A1HPGDMAPTGAA

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-20090291998-A1 EPONEMYCIN AND EPOXOMICIN ANALOGS AND USES THEREOF EISAI R&D MANAGEMENT CO., LTD. 2009-11-26 US disclosed
US-7524883-B2 Eponemycin and epoxomicin analogs and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 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 PDK2 2741/4885EGFR 881/4885IP6K1 4131/4885

“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.