SCHEMBL10102170

SCHEMBL10102170

CCOC(=O)C=C1CCC(C(OCOC)c2ccc(C)c(OC(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
REN P00797 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL10106836 0.92 ESR2 (0.41) ESR2JAK2JAK1RENL3MBTL1
SCHEMBL10102167 0.84 ESR2 (0.46) ESR2BCHEACHEJAK2JAK1
SCHEMBL10107050 0.77 ESR2 (0.44) ESR2ACHEL3MBTL1CTDSP1
SCHEMBL10102174 0.75 BCHE (0.31) BCHEACHERENL3MBTL1
SCHEMBL14042392 0.74 HIF1A (0.38) L3MBTL1SMN1; SMN2
SCHEMBL660373 0.67 HIF1A (0.34) L3MBTL1SMN1; SMN2
SCHEMBL10106834 0.65 HIF1A (0.35) L3MBTL1
SCHEMBL4221494 0.64 ESR2 (0.48) ESR2JAK2JAK1RECQLSMN1; SMN2
SCHEMBL1326832 0.64 ESR2 (0.48) ESR2JAK2JAK1SLC6A3
SCHEMBL661916 0.64 REN (0.32) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 ESR2 75/4885BCHE 2145/4885ACHE 2707/4885

“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.