SCHEMBL914524

SCHEMBL914524

O=C(O)c1cc2c(OCc3coc4cc(F)ccc34)cccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.58
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
PDPK1 O15530 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARD Q03181 2/20 0.38
DAO P14920 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FLT3 P36888 4/20 0.36
RHEB Q15382 1/20 0.36
MEN1 O00255 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL914148 0.92 SRD5A2 (0.58) SRD5A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL914749 0.89 SRD5A2 (0.57) SRD5A2KDM4EHPGDLMNAPPARD
SCHEMBL913950 0.88 SRD5A2 (0.65) SRD5A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL914137 0.87 SRD5A2 (0.55) SRD5A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL914627 0.87 SRD5A2 (0.55) SRD5A2KDM4EALDH1A1CYP2C19TSHR
SCHEMBL2313931 0.86 SRD5A2 (0.54) SRD5A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL916236 0.85 SRD5A2 (0.58) SRD5A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL915508 0.84 SRD5A2 (0.57) SRD5A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL914570 0.84 SRD5A2 (0.60) SRD5A2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL14135129 0.84 SRD5A2 (0.52) SRD5A2ALDH1A1TDP1PPARDPPARG

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US claimed
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2010-01-21 US claimed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed
EP-2125782-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES Novartis AG (CH) 2009-12-02 EP claimed
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 WO claimed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US claimed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP claimed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO claimed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
EP-2125782-B1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2011-08-03 EP 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
EP-2125782-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 WO 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 (3 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 SRD5A2 849/4885KDM4E 4266/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885KDM4E 4275/4885ALDH1A1 1732/4885
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 SRD5A2 934/4885KDM4E 777/4885ALDH1A1 123/4885

“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.