SCHEMBL914679

SCHEMBL914679

O=C(O)c1cc2c(OCc3ccoc3)cccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.73
SRD5A1 P18405 1/20 0.44
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
AHR P35869 1/20 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
SCHEMBL914178 0.85 SRD5A2 (0.54) SRD5A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL30397127 0.85 SRD5A2 (1.00) SRD5A2SRD5A1KDM4EHSD17B10ALDH1A1
SCHEMBL914722 0.85 SRD5A2 (1.00) SRD5A2SRD5A1KDM4EHSD17B10ALDH1A1
SCHEMBL914692 0.81 SRD5A2 (0.48) SRD5A2HPGDNPC1POLBRAB9A
SCHEMBL914691 0.80 SRD5A2 (0.47) SRD5A2ALDH1A1NPC1POLBRAB9A
SCHEMBL915251 0.80 SRD5A2 (0.67) SRD5A2SRD5A1KDM4EHSD17B10ALDH1A1
SCHEMBL27653275 0.79 SRD5A2 (0.47) SRD5A2ALDH1A1NPC1POLBRAB9A
SCHEMBL30310576 0.77 SRD5A2 (0.71) SRD5A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL1144792 0.77 SRD5A2 (0.71) SRD5A2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL913950 0.76 SRD5A2 (0.65) SRD5A2SRD5A1KDM4EHSD17B10ALDH1A1

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 31 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
CN-101605781-B Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG 2014-08-13 CN disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
US-8354431-B2 Aryl carboxylic acid cyclohexyl amide derivatives NOVARTIS AG (CH) 2013-01-15 US disclosed
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
WO-2008101905-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES NOVARTIS AG (CH) 2008-08-28 WO 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
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN 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-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885SRD5A1 821/4885KDM4E 4275/4885
US-20100016361-A1 ARYL CARBOXYLIC ACID CYCLOHEXYL AMIDE DERIVATIVES CYP2D6, CYP2B6, CYP2C9 SRD5A2 934/4885SRD5A1 844/4885KDM4E 777/4885

“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.