SCHEMBL663135

SCHEMBL663135

CC(O)OC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.43
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 2/20 0.36
KCNN4 O15554 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL13641887 0.82 MAPK1 (0.46) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL16062155 0.80 ALDH1A1 (0.41) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL662476 0.78 MAPK1 (0.43) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL16247764 0.78 MAPK1 (0.43) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL20680140 0.76 MAPK1 (0.44) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL28109011 0.74 ALDH1A1 (0.37) ALDH1A1ALOX15MAPK1CYP3A4CYP2D6
SCHEMBL17894157 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL2429063 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL8319549 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1ESR1ESR2
SCHEMBL5545787 0.72 ALDH1A1 (0.65) ALDH1A1ALOX15MAPK1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351730-B1 ETHOXY DIPHENYL ETHANE DERIVATES, PREPARATION PROCESSES AND USES THEREOF SHANGHAI ECUST BIOMEDICINE CO LTD (CN) 2014-07-30 EP disclosed
US-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof Zhejiang Wild Wind Pharmaceutical Co., Ltd. (CN) 2012-02-23 US disclosed
EP-2351730-A1 ETHOXY DIPHENYL ETHANE DERIVATES, PREPARATION PROCESSES AND USES THEREOF Shanghai Ecust Biomedicine Co., Ltd (CN) 2011-08-03 EP 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-20120046492-A1 Ethoxy Diphenyl Ethane Derivatives, Preparation Processes and Uses Thereof TUBB1, TUBB, TUBB3 ALDH1A1 1714/4885ALOX15 2535/4885MAPK1 1176/4885

“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.