SCHEMBL6132371

SCHEMBL6132371

COCCCCOCC1CCN(c2ccc(C(=O)NN)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
SMYD3 Q9H7B4 2/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SPHK1 Q9NYA1 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
USP2 O75604 1/20 0.40
F10 P00742 1/20 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

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
SCHEMBL6132226 0.99 SPHK1 (0.42) HDAC3HDAC8SMYD3MAPTKDM4E
SCHEMBL6132171 0.87 ALDH1A1 (0.46) HDAC3HDAC8MAPTALDH1A1KMT2A
SCHEMBL6132756 0.86 ALDH1A1 (0.45) HDAC3HDAC8MAPTSPHK1ALDH1A1
SCHEMBL6132310 0.84 HTT (0.44) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL6132370 0.83 SMYD3 (0.43) HDAC3HDAC8SMYD3MAPTKDM4E
SCHEMBL6132500 0.83 SMYD3 (0.43) HDAC3HDAC8SMYD3MAPTKDM4E
SCHEMBL6134735 0.83 SMYD3 (0.43) HDAC3HDAC8SMYD3MAPTKDM4E
SCHEMBL6132749 0.83 HTT (0.43) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL6134505 0.80 GPR119 (0.41) HDAC3HDAC8SMYD3MAPTKDM4E
SCHEMBL6132549 0.79 ALDH1A1 (0.41) MAPTKDM4EALDH1A1KMT2AMEN1

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 HDAC3 1534/4885HDAC8 2137/4885SMYD3 4233/4885

“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.