SCHEMBL12022013

SCHEMBL12022013

CC(C)Oc1ccc2ccccc2c1OC[C@H]1CCCN1c1ncnc2c1ncn2CCC1CCOC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.39
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FFAR2 O15552 1/20 0.30

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
SCHEMBL12037932 0.92 METAP2 (0.40) METAP2PDE10AFFAR2
SCHEMBL12067545 0.82 METAP2 (0.42) METAP2PDE10AKDM4EALDH1A1HPGD
SCHEMBL2544609 0.81 METAP2 (0.43) METAP2PDE10A
SCHEMBL20460356 0.75 PIK3CD (0.40)
SCHEMBL12022034 0.72 METAP2 (0.42) METAP2IRAK4
SCHEMBL18596716 0.70 METAP2 (0.42) METAP2IRAK4
SCHEMBL2544610 0.69 METAP2 (0.41) METAP2PDE10A
SCHEMBL12022033 0.69 METAP2 (0.39) METAP2KDM4EALDH1A1L3MBTL1IRAK4
SCHEMBL2539733 0.66 METAP2 (0.61) METAP2KDM4EALDH1A1HPGDFFAR2
SCHEMBL2539728 0.66 METAP2 (0.61) METAP2KDM4EALDH1A1HPGDFFAR2

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-20110294952-A1 Optimized Drug Conjugates SynDevRX (US) 2011-12-01 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-20110294952-A1 Optimized Drug Conjugates ABCB1, ABCG2, UGT1A3 METAP2 2243/4885PDE10A 4100/4885KDM4E 2823/4885

“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.