SCHEMBL6132596

SCHEMBL6132596

COC(=O)c1ccc(-c2ccc(N3CCN(C4CCC(OC)(C5CCCCC5)CC4)CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRL1 P41146 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MBTD1 Q05BQ5 1/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 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
SCHEMBL6132374 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AOPRL1ESR1
SCHEMBL6132375 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AOPRL1ESR1
SCHEMBL6132188 0.91 USP2 (0.43) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL6132187 0.91 USP2 (0.43) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL6232059 0.91 USP2 (0.43) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL6132744 0.87 USP2 (0.46) ALDH1A1MEN1KMT2AESR1HRH3
SCHEMBL7317032 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AOPRL1ESR1
SCHEMBL6132336 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6133752 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL6133750 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AESR1ESR2

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 3 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

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 4718/4885MEN1 1517/4885KMT2A 4695/4885

“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.