SCHEMBL4596357

SCHEMBL4596357

CC(=O)Oc1ccc(Oc2ccc(C)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
KDM4E B2RXH2 2/20 0.53
LIPE Q05469 6/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ACACB O00763 3/20 0.41

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
SCHEMBL903584 0.84 RAB9A (0.56) LMNAKDM4ELIPERAB9ANPC1
SCHEMBL4948493 0.83 KDM4E (0.60) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL8737052 0.82 KDM4E (0.66) KDM4ELIPERAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL23320590 0.81 ALDH1A1 (0.58) LMNAKDM4ERAB9ANPC1ALDH1A1
Potassium SCHEMBL29692209 0.81 KDM4E (0.58) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL23320591 0.81 KDM4E (0.58) LMNAKDM4ERAB9ANPC1ALDH1A1
SCHEMBL4597506 0.80 KDM4E (0.54) KDM4ELIPERAB9ANPC1ALDH1A1
SCHEMBL4597217 0.79 ACACB (0.44) LMNAKDM4ELIPEACACB
SCHEMBL8737929 0.79 LMNA (0.87) LMNAKDM4ERAB9AALDH1A1HSD17B10
SCHEMBL4598049 0.78 KDM4E (0.56) LMNAKDM4ELIPERAB9ANPC1

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 LMNA 4700/4885KDM4E 3689/4885LIPE 3734/4885

“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.