SCHEMBL6132500

SCHEMBL6132500

COCCCCCCOC1CCN(c2ccc(C(=O)NN)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.43
ACACB O00763 1/20 0.42
MAPT P10636 3/20 0.41
LSS P48449 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A1 P22736 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
AOC2 O75106 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
SCHEMBL6132370 1.00 SMYD3 (0.43) SMYD3ACACBMAPTLSSKDM4E
SCHEMBL6134735 1.00 SMYD3 (0.43) SMYD3ACACBMAPTLSSKDM4E
SCHEMBL6134505 0.93 GPR119 (0.41) SMYD3ACACBMAPTKDM4EHDAC3
SCHEMBL6134206 0.91 HDAC3 (0.47) SMYD3MAPTKDM4EHDAC3HDAC8
SCHEMBL6134902 0.89 ALDH1A1 (0.50) ACACBMAPTLSSKDM4EUSP2
SCHEMBL6134785 0.89 MAPT (0.50) MAPTKDM4EHDAC3HDAC8USP2
SCHEMBL6132535 0.89 MEN1 (0.45) SMYD3MAPTKDM4EHDAC3HDAC8
SCHEMBL6132733 0.89 MEN1 (0.45) SMYD3MAPTKDM4EHDAC3HDAC8
SCHEMBL6132706 0.87 ALDH1A1 (0.46) ACACBMAPTLSSHDAC3HDAC8
SCHEMBL6132700 0.87 ALDH1A1 (0.46) ACACBMAPTLSSHDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 SMYD3 4233/4885ACACB 4802/4885MAPT 3424/4885

“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.