SCHEMBL10102167

SCHEMBL10102167

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
BCHE P06276 6/20 0.37
ACHE P22303 6/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TYR P14679 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10107050 0.90 ESR2 (0.44) ESR2ACHEL3MBTL1ALDH1A1
SCHEMBL10102170 0.84 ESR2 (0.41) ESR2BCHEACHEJAK2JAK1
SCHEMBL10102164 0.79 ACHE (0.36) BCHEACHEL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10106836 0.75 ESR2 (0.41) ESR2JAK2JAK1L3MBTL1ALDH1A1
SCHEMBL10101848 0.70 ACHE (0.43) BCHEACHETSHRTYRSMN1; SMN2
SCHEMBL10102162 0.68 SYK (0.34) BCHEACHEL3MBTL1ALDH1A1
SCHEMBL14042199 0.68 HIF1A (0.46) ACHEL3MBTL1
SCHEMBL4221494 0.68 ESR2 (0.48) ESR2JAK2JAK1SLC6A2SLC6A4
SCHEMBL1326832 0.68 ESR2 (0.48) ESR2JAK2JAK1SLC6A3
SCHEMBL1327835 0.68 ESR2 (0.50) ESR2JAK2JAK1L3MBTL1SLC6A2

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.