SCHEMBL6132497

SCHEMBL6132497

COc1ccc(C2CCC(N3CCN(c4ccc(-c5ccc(C(=O)O)cc5)cc4)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 5/20 0.52
ORAI1 Q96D31 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
PDE5A O76074 3/20 0.46
GFER P55789 1/20 0.46
SLC18A3 Q16572 1/20 0.46
TRPV6 Q9H1D0 1/20 0.45

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
SCHEMBL6132694 1.00 KDM4E (0.55) KDM4ETDP1ALDH1A1ORAI1L3MBTL1
SCHEMBL6132493 1.00 KDM4E (0.55) KDM4ETDP1ALDH1A1ORAI1L3MBTL1
SCHEMBL6132158 0.90 KDM4E (0.52) KDM4ETDP1ALDH1A1ORAI1L3MBTL1
SCHEMBL6132159 0.90 KDM4E (0.52) KDM4ETDP1ALDH1A1ORAI1L3MBTL1
SCHEMBL6132773 0.90 KDM4E (0.52) KDM4ETDP1ALDH1A1ORAI1L3MBTL1
SCHEMBL6132172 0.83 CA1 (0.62) KDM4EALDH1A1L3MBTL1LMNATSHR
Hydrochloric Acid SCHEMBL7333163 0.81 KDM4E (0.55) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL6134910 0.80 USP2 (0.67) KDM4ETDP1ALDH1A1L3MBTL1MEN1
SCHEMBL6135516 0.80 USP2 (0.67) KDM4ETDP1ALDH1A1L3MBTL1MEN1
SCHEMBL6134907 0.80 USP2 (0.67) KDM4ETDP1ALDH1A1L3MBTL1MEN1

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 KDM4E 4687/4885TDP1 1055/4885ALDH1A1 4718/4885

“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.