SCHEMBL6132530

SCHEMBL6132530

CO[C@]1(c2ccccc2)CC[C@@H](N2CCN(c3ccc(-c4ccc(C(=O)O)cc4)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHEK1 O14757 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 3/20 0.40
TP53 P04637 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL6132528 1.00 KDM4E (0.47) KDM4ETDP1ALDH1A1L3MBTL1USP2
SCHEMBL6132532 1.00 KDM4E (0.47) KDM4ETDP1ALDH1A1L3MBTL1USP2
SCHEMBL6132779 0.92 KDM4E (0.45) KDM4ETDP1ALDH1A1L3MBTL1USP2
SCHEMBL6132782 0.92 KDM4E (0.45) KDM4ETDP1ALDH1A1L3MBTL1USP2
SCHEMBL6132780 0.92 KDM4E (0.45) KDM4ETDP1ALDH1A1L3MBTL1USP2
Hydrochloric Acid SCHEMBL6132329 0.83 OPRM1 (0.47) KDM4EALDH1A1L3MBTL1USP2MEN1
SCHEMBL6132368 0.82 USP2 (0.52) KDM4ETDP1ALDH1A1L3MBTL1USP2
SCHEMBL6132407 0.81 HDAC3 (0.48) KDM4ETDP1ALDH1A1L3MBTL1MEN1
SCHEMBL6132411 0.81 HDAC3 (0.48) KDM4ETDP1ALDH1A1L3MBTL1MEN1
SCHEMBL6132412 0.81 HDAC3 (0.48) 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.