SCHEMBL12733491

SCHEMBL12733491

CCC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
EPHX1 P07099 1/20 0.31
ACKR3 P25106 2/20 0.31
HPGD P15428 1/20 0.30
NAMPT P43490 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
SCHEMBL13121551 0.84 POLB (0.43) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL12733489 0.83 L3MBTL1 (0.34) POLBALDH1A1L3MBTL1
SCHEMBL12733495 0.83 L3MBTL1 (0.34) POLBALDH1A1L3MBTL1
SCHEMBL12733476 0.83 POLB (0.42) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL13121053 0.76 HTR2A (0.32) ALDH1A1L3MBTL1
SCHEMBL12733414 0.74 POLB (0.58) POLBKDM4EALDH1A1TSHRHSD17B10
SCHEMBL12733497 0.73 SSTR4 (0.49) ACKR3
SCHEMBL12733486 0.72 CYP2C9 (0.34) KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL12733488 0.72 CYP2C9 (0.34) KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL11194198 0.68 ATM (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 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 (2 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-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 POLB 384/4885KDM4E 2238/4885ALDH1A1 4381/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 POLB 308/4885KDM4E 3028/4885ALDH1A1 4287/4885

“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.