SCHEMBL914490

SCHEMBL914490

CCOC(=O)c1cc2c(OCC(C)C)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.54
SRD5A2 P31213 1/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 3/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
HTR1A P08908 2/20 0.46
SLC6A2 P23975 2/20 0.46
ABCB11 O95342 1/20 0.46

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
SCHEMBL12388663 0.88 CYP2D6 (0.59) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL914781 0.85 SRD5A2 (0.66) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL15099347 0.84 KDM4E (0.49) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL699482 0.83 FLT3 (0.60) KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL914438 0.83 KDM4E (0.48) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL8555912 0.82 SRD5A2 (0.47) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL700753 0.82 SRD5A2 (0.73) KDM4EALDH1A1HSD17B10SRD5A2MAPT
SCHEMBL30304098 0.81 KDM4E (0.49) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL11468564 0.79 CYP2D6 (0.54) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL9588071 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10CYP2D6CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4266/4885ALDH1A1 1647/4885HSD17B10 2416/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885ALDH1A1 1732/4885HSD17B10 2378/4885

“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.