SCHEMBL14898024

SCHEMBL14898024

CC(C)(C)OC(=O)NCc1cccc(C2CCN(C(=O)c3cccc(OCC(C)(O)C(=O)O)c3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.43
PARP10 Q53GL7 3/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CHRM4 P08173 1/20 0.39
CCR5 P51681 1/20 0.39
TPSAB1 Q15661 3/20 0.39
NAMPT P43490 1/20 0.39
CNR2 P34972 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL15866749 0.93 PARP14 (0.40) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL14898026 0.92 PARP14 (0.43) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL14898023 0.90 PARP14 (0.40) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL1668933 0.89 PARP14 (0.44) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL14898221 0.88 PARP14 (0.42) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL14898164 0.88 PARP14 (0.43) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL14898212 0.87 PARP14 (0.41) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL15866721 0.87 PARP14 (0.38) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL1668831 0.86 PARP14 (0.40) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL15866724 0.86 ACHE (0.49) KDM4ETPSAB1CNR2ACHEBACE1

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-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO 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-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PARP14 1916/4885PARP10 1991/4885ALDH1A1 4582/4885

“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.