SCHEMBL9975467

SCHEMBL9975467

CCCCC/C=C\C/C=C\CCCCCCCCOCCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53
TST Q16762 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL15303405 1.00 ESR1 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9975501 0.97 ESR1 (0.56) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL15302920 0.97 ESR1 (0.56) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31651135 0.88 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31651133 0.88 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL25299458 0.88 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11228902 0.88 ESR1 (0.67) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9253926 0.87 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9975470 0.86 EPHX2 (0.54) CNR1CNR2
SCHEMBL15302929 0.86 EPHX2 (0.54) CNR1CNR2

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
EP-2666761-A1 HYDROXYTYROSOL ETHERS Fundacio Imim (ES) 2013-11-27 EP claimed
US-20130267588-A1 HYDROXYTYROSOL ETHERS FUNDACIO IMIM (ES) 2013-10-10 US claimed
EP-2666761-A1 HYDROXYTYROSOL ETHERS Fundacio Imim (ES) 2013-11-27 EP disclosed
US-20130267588-A1 HYDROXYTYROSOL ETHERS FUNDACIO IMIM (ES) 2013-10-10 US disclosed
US-20130267588-A1 HYDROXYTYROSOL ETHERS FUNDACIO IMIM (ES) 2013-10-10 US disclosed
US-20130267588-A1 HYDROXYTYROSOL ETHERS FUNDACIO IMIM (ES) 2013-10-10 US disclosed
WO-2012080555-A1 HYDROXYTYROSOL ETHERS FUNDACIÓ IMIM (ES) 2012-06-21 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 (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-20130267588-A1 HYDROXYTYROSOL ETHERS CNR1, CNR2, HCRTR1 ESR1 1021/4885ADRA2A 119/4885ADORA3 1231/4885

“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.