SCHEMBL6132700

SCHEMBL6132700

COCCCCCCOC1CCN(c2ccc(C(=O)NNC(=O)c3ccc(C(=O)OC)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HDAC3 O15379 10/20 0.43
HDAC8 Q9BY41 10/20 0.43
LSS P48449 1/20 0.41
MAPT P10636 2/20 0.40
PDE6D O43924 1/20 0.40
ACACB O00763 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 1/20 0.40
BCHE P06276 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
SCHEMBL6132706 1.00 ALDH1A1 (0.46) ALDH1A1HDAC3HDAC8LSSMAPT
SCHEMBL6134902 0.95 ALDH1A1 (0.50) ALDH1A1LSSMAPTPDE6DACACB
SCHEMBL6134832 0.92 HDAC3 (0.49) ALDH1A1HDAC3HDAC8MAPTPDE6D
SCHEMBL6133632 0.91 HDAC3 (0.48) ALDH1A1HDAC3HDAC8MAPTTSHR
SCHEMBL6132214 0.90 MEN1 (0.43) ALDH1A1HDAC3HDAC8MAPTTSHR
SCHEMBL6135350 0.88 HDAC3 (0.47) ALDH1A1HDAC3HDAC8MAPTPDE6D
SCHEMBL6134735 0.87 SMYD3 (0.43) ALDH1A1HDAC3HDAC8LSSMAPT
SCHEMBL6132370 0.87 SMYD3 (0.43) ALDH1A1HDAC3HDAC8LSSMAPT
SCHEMBL6132500 0.87 SMYD3 (0.43) ALDH1A1HDAC3HDAC8LSSMAPT
SCHEMBL6132756 0.86 ALDH1A1 (0.45) ALDH1A1HDAC3HDAC8MAPTPDE6D

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 ALDH1A1 4718/4885HDAC3 1534/4885HDAC8 2137/4885

“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.