SCHEMBL663136

SCHEMBL663136

CCOC(CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
KCNN4 O15554 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
CYP2C19 P33261 2/20 0.35
KIF11 P52732 1/20 0.35
HIF1A Q16665 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PIN1 Q13526 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9194628 0.83 KCNN4 (0.40) ALDH1A1ALOX15KCNN4CYP3A4CYP2D6
SCHEMBL5831582 0.81 LTA4H (0.42) ALDH1A1ALOX15CYP3A4CYP2D6MAPK1
SCHEMBL8515248 0.80 MEN1 (0.42) CYP3A4MAPK1LMNAHIF1APOLB
SCHEMBL8990316 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15KCNN4CYP3A4CYP2D6
SCHEMBL662477 0.79 TAAR1 (0.48) ALDH1A1KCNN4MAPK1LMNAKIF11
SCHEMBL14127315 0.79 KCNN4 (0.38) ALDH1A1ALOX15KCNN4CYP3A4CYP2D6
SCHEMBL11292919 0.78 LMNA (0.45) ALDH1A1ALOX15KCNN4CYP3A4MAPK1
SCHEMBL3663151 0.78 MAPK1 (0.40) ALDH1A1ALOX15KCNN4CYP3A4CYP2D6
SCHEMBL9196611 0.77 CYP1A2 (0.41) ALDH1A1ALOX15KCNN4CYP3A4CYP2D6
SCHEMBL11786495 0.76 KIF11 (0.46) KCNN4CYP3A4CYP2D6CYP2C19KIF11

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 2535/4885KCNN4 4149/4885

“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.